data_2jv9_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 2jv9 _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 ' 7' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.8 OUTLIER -61.64 -48.53 80.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.257 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.35 -42.55 87.94 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.89 -48.14 81.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.651 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.85 -47.89 79.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.563 1.173 . . . . 0.0 109.886 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -63.68 -61.58 2.22 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 112.426 -2.17 . . . . 0.0 111.201 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 m -51.53 -44.52 62.65 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.008 0.432 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' THR . 52.2 ttt-85 -60.72 -45.67 93.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.228 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.77 -27.54 3.04 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.109 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.4 mmt -91.3 -15.58 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.382 . . . . 0.0 110.656 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ARG . 71.2 m -75.69 -17.87 59.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.462 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.94 -37.67 84.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.618 0.723 . . . . 0.0 109.807 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -64.54 -38.52 91.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.363 -1.289 . . . . 0.0 110.207 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.563 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 65.0 m-85 -99.53 161.94 13.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.851 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' A' ' 23' ' ' VAL . 57.8 mp0 -123.29 178.25 5.22 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.755 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.615 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 47.7 t-80 62.47 4.4 1.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.509 ' H ' ' C ' ' A' ' 21' ' ' GLU . 94.6 t -123.67 128.33 74.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.759 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 40.5 p-10 -137.08 106.02 5.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.742 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.6 mt -87.87 80.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.567 0.699 . . . . 0.0 112.308 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.516 ' H ' ' HG ' ' A' ' 31' ' ' SER . 87.8 mt-30 -104.32 -0.58 28.05 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.232 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 26' ' ' GLN . 33.4 m120 -162.32 173.76 13.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.292 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -105.57 -12.63 15.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.97 0.414 . . . . 0.0 110.37 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -106.45 -71.39 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.755 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.2 m -60.96 -44.53 97.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.149 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.516 ' HG ' ' H ' ' A' ' 26' ' ' GLN . 21.3 m -68.32 0.77 3.5 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.822 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -114.65 -3.61 12.86 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.682 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -56.73 -19.16 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.469 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.575 ' C ' ' H ' ' A' ' 36' ' ' MET . 6.5 m -82.09 -22.71 36.15 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.584 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 74.71 -12.48 6.09 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.604 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 94.2 mtp -65.0 -20.04 66.3 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.675 -0.763 . . . . 0.0 110.079 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.4 -48.84 47.31 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.639 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -57.05 -41.99 79.72 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.015 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 21.1 p -71.25 -45.0 64.2 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.06 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.565 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.51 -42.96 99.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.526 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.19 -43.49 98.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 110.659 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.8 mm -67.63 -43.47 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.408 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.563 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 34.5 t-80 -56.66 -14.3 3.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.996 0.427 . . . . 0.0 111.341 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -71.45 -39.74 70.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.858 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.88 -14.83 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.912 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -127.02 99.28 28.94 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.293 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -75.65 -36.74 2.03 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.959 1.773 . . . . 0.0 111.737 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -66.91 -16.69 64.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.8 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.124 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 6.7 p90 -168.82 162.99 11.71 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.711 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -80.64 97.62 7.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.58 -25.48 67.35 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.884 0.373 . . . . 0.0 111.056 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.88 -12.84 60.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.751 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -94.54 -10.67 31.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.654 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.56 154.01 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.088 0.471 . . . . 0.0 110.965 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -131.22 165.0 38.44 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.113 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -76.86 -1.27 11.4 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.351 2.034 . . . . 0.0 109.977 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.18 -44.05 60.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.289 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 19.4 ptmt -97.46 63.58 1.79 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.726 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -65.07 -42.21 94.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -52.72 -47.96 66.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.699 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -66.65 -35.86 81.17 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 16.4 t-20 -60.7 -42.08 96.47 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.542 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.531 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.8 m-85 -68.89 -53.84 18.9 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.687 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.1 m -56.64 -43.27 80.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.448 ' O ' ' OG1' ' A' ' 70' ' ' THR . 65.4 tp -61.88 -49.48 76.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.61 -39.41 80.36 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.899 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 41.7 m-85 -79.81 -49.43 12.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.249 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 m -61.09 -30.39 70.32 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 24.0 m -75.78 -50.47 15.11 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.295 178.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -62.78 -31.17 72.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' ASP . 74.6 tt0 -70.04 -51.89 28.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.112 0.482 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.56 -38.93 91.98 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.988 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.38 -38.92 19.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -124.43 1.26 8.34 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 72' ' ' GLU . 59.7 t0 48.34 37.24 8.24 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.839 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 76' ' ' ASP . 18.6 p -47.06 -167.87 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.546 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.42 172.86 9.07 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.306 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -124.37 40.87 3.63 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.987 0.422 . . . . 0.0 109.872 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.28 -28.8 64.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.662 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.8 mt -112.05 143.15 43.54 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 121.198 0.523 . . . . 0.0 112.26 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -113.8 131.06 56.37 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.144 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.7 t -49.23 -53.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.719 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -54.54 -45.04 73.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.305 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -62.01 -44.44 96.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.93 0.395 . . . . 0.0 110.212 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.531 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 9.2 mtp -60.89 -43.56 98.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.083 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.63 -44.69 98.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -71.77 -48.62 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.565 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.86 -51.66 63.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.037 0.446 . . . . 0.0 110.5 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.407 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 59.13 28.84 18.25 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 55.8 t -163.51 92.64 1.12 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 113.788 -1.551 . . . . 0.0 109.423 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.03 -178.49 3.58 Favored 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 121.939 1.76 . . . . 0.0 111.39 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -117.95 131.23 56.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.458 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.3 m -48.45 -33.72 9.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.946 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -74.18 -34.64 63.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.429 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.9 m -67.78 -52.92 31.49 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.068 0.461 . . . . 0.0 110.745 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.26 -44.17 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 19.6 t80 -60.89 -50.92 71.47 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.097 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.43 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 86.5 m -59.66 -42.93 93.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.694 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -61.13 -50.88 71.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.505 0.669 . . . . 0.0 110.028 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.4 mm -59.85 -38.04 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.119 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -53.6 -57.32 11.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' A' ' 99' ' ' THR . 1.6 mp0 -60.34 -46.18 90.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.588 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.5 tp -60.38 -44.69 95.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.638 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -53.24 -48.53 68.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.573 0.701 . . . . 0.0 109.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.65 -44.45 93.54 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.106 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.7 t -57.41 -40.83 79.12 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.836 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.02 -39.45 94.8 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.72 -47.14 94.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.436 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.67 -52.83 58.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -53.99 -26.13 24.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.215 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.36 20.39 64.52 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 mt -72.31 -45.03 61.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.48 -0.86 . . . . 0.0 111.101 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 CA--C 1.532 0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.242 -179.277 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 121.126 0.488 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 tpt -60.64 -46.46 90.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.284 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.45 -43.58 98.48 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.353 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.67 -48.03 82.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.812 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -58.74 -52.37 65.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.661 1.22 . . . . 0.0 110.233 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -58.16 -63.75 1.16 Allowed 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 112.212 -2.267 . . . . 0.0 111.435 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.492 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.8 t -51.86 -50.08 61.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.122 0.487 . . . . 0.0 111.067 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -54.9 -44.58 74.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.36 -31.25 61.6 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.777 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.0 -29.07 14.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.169 -178.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.497 ' H ' ' HG1' ' A' ' 17' ' ' THR . 0.2 OUTLIER -81.98 -12.41 58.36 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.709 0.63 . . . . 0.0 111.15 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -62.15 -61.19 2.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.708 0.766 . . . . 0.0 109.064 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -47.37 -23.48 0.59 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.883 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.503 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 26.7 m-85 -90.99 103.38 16.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.663 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.601 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -68.02 174.39 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.612 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 17.0 t-80 63.5 -1.59 0.57 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.925 0.869 . . . . 0.0 108.719 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.601 ' H ' ' C ' ' A' ' 21' ' ' GLU . 67.1 t -128.74 129.46 68.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.198 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' O ' ' OG ' ' A' ' 31' ' ' SER . 67.7 t0 -152.28 110.95 3.78 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.565 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.83 105.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.629 0.728 . . . . 0.0 112.96 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.584 ' H ' ' HG ' ' A' ' 31' ' ' SER . 62.2 tt0 -105.77 -11.08 16.4 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.493 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.536 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 11.5 t-20 -172.76 -173.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.32 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 50.6 m-85 -103.68 -13.2 16.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.063 0.459 . . . . 0.0 110.379 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -105.99 -71.15 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.806 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -59.94 -43.81 94.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.484 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.584 ' HG ' ' H ' ' A' ' 26' ' ' GLN . 7.2 t -71.91 0.07 10.13 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.103 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.422 ' C ' ' H ' ' A' ' 34' ' ' SER . 33.3 m95 -112.26 -6.2 14.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.817 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.8 m -63.74 0.02 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.31 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.505 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.9 m -96.37 -25.86 15.57 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.599 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.517 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 79.24 -14.8 13.77 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 108.922 -1.671 . . . . 0.0 108.922 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.505 ' H ' ' C ' ' A' ' 34' ' ' SER . 63.1 mmm -61.95 -28.98 69.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.538 -0.831 . . . . 0.0 110.071 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.44 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.684 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -56.98 -47.13 81.5 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.273 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 88.3 m -67.6 -44.81 77.17 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.55 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.761 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.5 tp -65.0 -42.12 94.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.05 0.452 . . . . 0.0 110.878 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.88 -44.36 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.588 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.503 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 34.9 t-80 -57.5 -14.33 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.977 0.418 . . . . 0.0 111.246 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -70.31 -39.99 74.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.507 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -102.81 -12.27 17.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.766 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.73 94.75 33.99 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.296 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.93 -36.69 2.46 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.809 1.672 . . . . 0.0 111.528 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.77 -14.2 60.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.36 -75.82 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.16 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.422 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 7.9 p90 -168.48 162.8 12.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.607 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -84.21 96.98 9.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 38.6 t80 -60.13 -21.29 61.4 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.93 -16.74 52.69 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.647 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -90.38 -17.51 27.14 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.608 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -80.07 152.15 29.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 111.266 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 1.9 p30 -122.56 162.64 37.17 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.333 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.27 -13.32 20.91 Favored 'Trans proline' 0 N--CA 1.49 1.275 0 C-N-CA 122.189 1.926 . . . . 0.0 110.01 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.47 77.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.342 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -92.25 56.16 2.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.329 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 20.3 ptp180 -67.62 -43.03 81.4 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 83.2 mtp180 -51.52 -46.67 63.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.262 0.553 . . . . 0.0 110.276 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -67.67 -33.33 74.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.598 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 23.9 t30 -61.31 -42.69 99.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.184 0.516 . . . . 0.0 110.56 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.49 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 47.3 m-85 -68.89 -52.54 28.49 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.652 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.0 m -55.2 -43.31 74.29 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 70' ' ' THR . 45.0 tp -60.47 -47.42 86.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.902 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.0 82.27 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.972 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -80.7 -49.65 10.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.974 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.2 p -62.4 -30.79 71.46 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 28.6 m -78.08 -46.92 19.49 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.424 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.04 79.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 33.4 tp10 -70.52 -49.63 46.27 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.739 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -60.63 -39.83 89.69 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.476 -0.889 . . . . 0.0 110.894 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.24 -45.99 17.03 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.68 5.96 10.0 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 78.8 m-20 48.17 34.34 4.32 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.958 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.457 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.7 t -48.82 -166.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.811 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.24 171.77 10.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.26 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -130.89 40.7 3.45 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.28 -25.25 66.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.598 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mt -112.97 142.93 45.1 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.17 0.509 . . . . 0.0 112.26 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -112.31 132.57 54.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.051 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.9 t -49.29 -54.16 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.899 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -55.27 -46.42 76.15 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.375 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -58.93 -45.5 90.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.868 0.366 . . . . 0.0 110.369 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.0 mtp -62.55 -43.35 99.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.427 0.632 . . . . 0.0 109.859 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.84 -46.84 95.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.07 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -71.0 -47.15 60.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.997 0.427 . . . . 0.0 111.421 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.51 -51.54 62.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.074 0.464 . . . . 0.0 110.392 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 58.65 26.69 14.83 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -177.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 72.5 t -162.09 89.96 1.41 Allowed Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 113.784 -1.553 . . . . 0.0 109.534 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -72.5 -173.14 1.06 Allowed 'Trans proline' 0 N--CA 1.488 1.183 0 C-N-CA 121.975 1.783 . . . . 0.0 111.46 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.35 130.97 55.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.208 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.8 m -48.2 -34.36 9.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.035 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.45 ' O ' ' OG1' ' A' ' 99' ' ' THR . 63.5 pttt -77.79 -31.01 51.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.695 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.9 m -66.29 -53.7 33.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.643 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.06 -43.02 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.456 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 21.5 t80 -58.57 -50.86 72.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.839 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.4 m -58.52 -44.22 89.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.124 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -61.67 -51.41 68.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.503 0.668 . . . . 0.0 110.324 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.97 -37.71 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.011 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -55.19 -56.86 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.707 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -59.43 -46.27 89.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.714 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.95 -45.23 93.32 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -54.36 -48.66 71.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.51 0.671 . . . . 0.0 109.943 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -60.21 -42.68 95.68 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.976 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.7 t -58.95 -40.73 85.58 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.758 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.08 -40.76 96.9 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.987 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.39 -46.76 95.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.728 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -61.46 -49.91 74.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.67 -18.33 53.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.24 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.61 20.93 75.95 Favored Glycine 0 N--CA 1.464 0.563 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 mt -72.96 -44.77 60.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.368 -0.916 . . . . 0.0 111.171 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 CA--C 1.534 0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.278 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.045 0.45 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -58.87 -47.49 84.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.377 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.37 -44.01 88.95 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.04 -46.94 88.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.525 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -56.72 -48.15 78.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.591 1.186 . . . . 0.0 110.129 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -64.01 -62.31 1.71 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 112.26 -2.245 . . . . 0.0 111.053 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -51.32 -45.8 62.37 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.8 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.504 ' O ' ' OG1' ' A' ' 17' ' ' THR . 61.4 ttt-85 -60.41 -45.49 93.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.67 0.748 . . . . 0.0 110.38 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.18 -25.99 4.16 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.279 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.5 mmt -88.77 -23.83 22.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 14' ' ' ARG . 68.9 p -70.0 -15.17 62.98 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.39 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -64.82 -43.41 93.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 109.533 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.32 -37.32 87.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.072 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.535 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 79.7 m-85 -94.84 155.4 16.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.941 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 23' ' ' VAL . 99.7 mt-10 -118.64 173.29 6.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.717 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.634 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 37.5 t-80 63.21 6.81 2.51 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' H ' ' C ' ' A' ' 21' ' ' GLU . 79.6 t -122.87 125.38 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.855 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 78.8 m-20 -142.92 105.27 4.44 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.668 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.15 99.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.651 0.739 . . . . 0.0 112.833 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -97.72 -27.46 14.33 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.847 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 65.0 t30 -152.8 -170.88 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.52 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 44.7 m-85 -104.32 -8.77 19.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.006 0.432 . . . . 0.0 110.325 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 30' ' ' SER . 88.2 p -106.78 -70.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.806 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.415 ' N ' ' OG ' ' A' ' 29' ' ' SER . 11.8 t -61.55 -43.53 98.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.341 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.65 0.5 6.81 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.808 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -114.25 -4.29 13.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.618 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.3 m -63.23 -6.04 4.0 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.234 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 36' ' ' MET . 23.9 m -93.29 -25.88 17.56 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.525 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 80.38 -15.49 17.86 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.881 -1.688 . . . . 0.0 108.881 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.591 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 27.2 mtt -61.84 -28.86 69.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.518 -0.841 . . . . 0.0 110.192 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.66 -50.26 58.72 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.647 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.62 -45.01 90.12 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.122 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 12.2 m -69.22 -46.95 66.13 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.0 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.518 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -62.79 -42.42 99.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.368 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.5 -43.86 96.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.935 0.398 . . . . 0.0 110.769 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.485 ' C ' ' H ' ' A' ' 44' ' ' LYS . 2.9 mm -67.73 -43.47 86.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.793 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.535 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 43.7 t-80 -57.7 -5.64 0.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.288 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 42' ' ' ILE . 3.7 tmtt? -85.31 -35.9 21.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.349 0.595 . . . . 0.0 111.256 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -86.58 -36.4 18.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.876 -178.159 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -121.87 105.48 37.81 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.485 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.635 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -72.96 -34.49 6.44 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.929 1.753 . . . . 0.0 111.731 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -72.52 14.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.635 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -73.55 -76.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.559 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.506 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.5 p90 -168.73 162.39 11.62 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.784 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -83.24 97.91 9.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.63 -21.69 66.5 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.889 0.376 . . . . 0.0 110.995 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.54 -15.14 58.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.709 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -90.48 -11.79 39.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.4 mt -85.62 150.37 24.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.81 167.22 16.6 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.191 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -75.25 -6.56 18.04 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 122.236 1.957 . . . . 0.0 110.012 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.14 -46.19 52.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -94.23 60.96 2.81 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.423 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -67.78 -45.98 73.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -50.69 -51.9 45.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.257 0.551 . . . . 0.0 110.421 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -61.16 -34.15 74.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.763 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 26.7 t30 -62.09 -42.01 98.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.519 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 47.0 m-85 -69.05 -54.03 17.29 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.695 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.5 m -53.61 -42.55 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.7 -48.4 81.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.066 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.65 82.24 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.136 -0.625 . . . . 0.0 109.883 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -79.08 -51.54 9.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 t -61.29 -28.16 68.99 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.011 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.9 m -78.15 -46.93 19.32 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.262 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.57 78.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.99 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 92.1 mt-10 -71.19 -50.78 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.044 0.449 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -58.91 -39.44 81.54 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.791 -0.764 . . . . 0.0 110.759 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -79.4 -50.02 11.46 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.7 7.23 11.63 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.4 t70 47.76 37.48 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.022 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 76' ' ' ASP . 8.4 m -49.28 -166.15 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.499 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.94 171.18 10.98 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.341 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -127.32 40.31 3.73 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.04 -27.0 67.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.687 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.9 mt -113.3 142.28 46.02 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.196 0.522 . . . . 0.0 112.356 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -113.05 134.31 54.58 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.983 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -50.27 -54.23 9.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.811 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 20.0 p30 -53.49 -44.7 69.26 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.491 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.58 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 98.2 m-20 -62.42 -43.57 98.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.084 0.469 . . . . 0.0 110.176 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.506 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 5.8 mtp -60.22 -43.02 96.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.118 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.65 -45.75 98.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.117 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -72.91 -50.96 20.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.925 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.19 -58.17 9.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.306 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.03 26.51 15.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 92' ' ' PRO . 77.7 t -160.91 60.37 1.28 Allowed Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.795 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.485 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.6 Cg_endo -45.29 179.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.013 1.809 . . . . 0.0 111.332 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -114.27 129.8 56.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.312 0.577 . . . . 0.0 110.388 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -48.69 -32.96 9.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.897 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.482 ' O ' ' OG1' ' A' ' 99' ' ' THR . 23.8 pttm -77.08 -31.51 56.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.446 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.4 m -67.15 -54.79 18.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.53 -43.72 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -57.75 -51.43 69.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.322 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 15.9 m -57.92 -43.21 86.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.034 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -61.59 -49.78 75.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.436 0.636 . . . . 0.0 110.084 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 105' ' ' TYR . 28.0 mm -62.16 -41.98 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.935 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -47.42 -68.07 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 104' ' ' LEU . 1.3 pp20? -56.75 -44.3 81.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.844 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.544 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 15.3 tp -60.8 -46.29 91.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.464 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.466 ' N ' ' O ' ' A' ' 101' ' ' ILE . 85.5 t80 -52.48 -47.36 66.59 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.56 0.695 . . . . 0.0 109.568 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -60.85 -40.15 91.77 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.017 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.9 m -59.83 -39.09 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.954 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.2 mt -69.45 -37.32 77.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.241 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.52 -47.8 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.765 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -65.7 -43.87 87.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -61.03 -25.41 66.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.311 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.61 19.19 58.74 Favored Glycine 0 N--CA 1.464 0.545 0 N-CA-C 109.791 -1.323 . . . . 0.0 109.791 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.25 -41.24 49.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.515 -0.843 . . . . 0.0 110.976 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.262 -178.78 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.2 t30 . . . . . 0 C--O 1.231 0.101 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.8 tpt -61.03 -46.2 91.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.441 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.44 -42.93 95.72 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.513 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.83 -46.17 90.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.337 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -57.7 -49.81 75.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.675 1.226 . . . . 0.0 109.882 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -63.06 -64.75 0.82 Allowed 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 112.495 -2.139 . . . . 0.0 111.215 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.49 -48.85 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.031 0.443 . . . . 0.0 111.225 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.46 -49.53 76.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.344 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.62 -16.55 0.65 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.262 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.3 mtt -114.7 -1.37 13.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.84 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.13 -13.7 16.69 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.158 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' TYR . 52.9 ttt180 -59.99 -64.58 0.9 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.586 0.708 . . . . 0.0 109.388 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.547 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 2.9 p-10 -45.68 -24.34 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.62 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.524 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 39.6 m-85 -90.61 98.77 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.526 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.64 ' C ' ' H ' ' A' ' 23' ' ' VAL . 53.0 mp0 -68.87 176.99 2.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.591 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 23.0 t-80 61.45 -1.99 0.27 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.64 ' H ' ' C ' ' A' ' 21' ' ' GLU . 58.9 t -126.16 130.65 72.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.121 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -145.38 107.31 4.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.1 mt -86.96 87.66 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.553 0.692 . . . . 0.0 112.727 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -92.65 -22.39 19.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.107 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.586 ' ND2' ' H ' ' A' ' 29' ' ' SER . 45.5 t30 -148.25 -176.13 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.836 -1.074 . . . . 0.0 108.105 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.516 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 58.1 m-85 -106.2 -11.89 15.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.884 0.373 . . . . 0.0 110.431 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.586 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 50.3 m -105.05 -72.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.643 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.402 ' C ' ' H ' ' A' ' 32' ' ' TRP . 72.9 p -61.87 -43.22 99.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.084 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 1.17 3.24 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.776 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.41 ' C ' ' H ' ' A' ' 34' ' ' SER . 27.0 m95 -113.03 -2.25 14.26 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.418 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.9 t -63.35 -1.71 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.253 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.544 ' C ' ' H ' ' A' ' 36' ' ' MET . 93.1 p -94.13 -25.68 17.04 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.08 -14.48 10.99 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -178.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.591 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 29.8 mtt -66.16 -27.98 68.43 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.567 -0.816 . . . . 0.0 110.274 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.94 -51.43 61.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.291 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -57.5 -36.92 72.15 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.933 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.534 ' HG ' ' CG ' ' A' ' 63' ' ' ASN . 86.2 m -78.16 -45.6 22.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.056 0.455 . . . . 0.0 111.449 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.81 97.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.663 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 tp -62.3 -44.74 95.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.801 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' C ' ' H ' ' A' ' 44' ' ' LYS . 30.5 mm -66.11 -43.39 92.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.598 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.524 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 28.5 t-80 -53.92 -9.86 0.27 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.387 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 42' ' ' ILE . 4.6 tmtm? -84.74 -35.52 22.41 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.454 0.645 . . . . 0.0 111.238 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -84.43 -39.62 18.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.947 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -124.83 104.17 30.47 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.303 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.4 Cg_exo -71.57 -30.67 14.61 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.902 1.735 . . . . 0.0 111.813 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.48 5.12 2.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -64.66 -74.07 0.11 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.835 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.408 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.8 p90 -168.84 162.5 11.43 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.658 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -83.54 95.14 8.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -58.39 -21.41 50.24 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.934 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.84 -17.65 43.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.306 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -85.49 -21.6 28.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.38 151.11 36.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.15 165.91 18.97 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.321 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.16 -13.49 21.07 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.285 1.99 . . . . 0.0 110.212 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.4 -42.54 78.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.433 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -89.45 69.45 7.98 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.97 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -74.54 -52.15 12.68 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.456 -0.497 . . . . 0.0 112.158 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -50.96 -47.4 61.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.266 0.555 . . . . 0.0 110.317 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -63.83 -33.8 76.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.102 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.534 ' CG ' ' HG ' ' A' ' 39' ' ' CYS . 42.1 t30 -61.95 -42.63 99.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 45.4 m-85 -69.74 -51.8 31.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.785 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -54.93 -42.09 71.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.402 ' O ' ' OG1' ' A' ' 70' ' ' THR . 52.3 tp -59.53 -49.01 79.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.012 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.65 79.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.071 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.81 -55.64 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.989 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -58.67 -29.6 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 92.9 m -75.83 -48.98 19.32 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.279 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.65 70.75 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 64.2 mm-40 -70.97 -53.3 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.907 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.57 -37.27 80.75 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.495 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.9 mt -76.16 -51.43 12.16 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.33 11.08 8.05 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' GLU . 27.8 t70 46.4 38.85 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.957 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' ASP . 63.9 m -50.03 -164.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.496 -178.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.74 171.48 10.39 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.333 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -132.76 41.95 3.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.159 0.504 . . . . 0.0 109.766 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.99 -23.43 66.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.434 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 mt -116.76 141.82 47.71 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.183 0.516 . . . . 0.0 112.099 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -109.93 133.37 53.25 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.362 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.3 t -47.89 -52.71 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.506 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -55.89 -44.93 78.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.106 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.37 -44.33 97.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.942 0.401 . . . . 0.0 110.291 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.495 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 8.1 mtp -61.72 -42.69 99.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.482 0.658 . . . . 0.0 109.63 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.08 -44.11 95.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.075 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -71.63 -47.88 51.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.585 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.91 -50.34 64.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.065 0.46 . . . . 0.0 110.624 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 60.08 28.04 17.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 54.8 t -163.47 94.59 1.08 Allowed Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 113.902 -1.499 . . . . 0.0 109.405 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -72.04 178.31 6.1 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.741 1.627 . . . . 0.0 111.477 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.99 131.97 54.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.534 0.683 . . . . 0.0 110.279 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.8 p -50.57 -37.43 39.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.889 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' OG1' ' A' ' 99' ' ' THR . 17.7 ptpt -77.81 -29.67 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.468 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.2 m -66.46 -53.05 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.352 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.9 -44.75 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 20.4 t80 -58.55 -51.07 71.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.122 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 27.0 m -58.41 -43.59 88.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.271 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.09 -50.63 72.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.359 0.6 . . . . 0.0 110.225 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' TYR . 26.6 mm -61.18 -40.69 86.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.155 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -51.25 -61.77 2.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.777 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.68 -46.24 89.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.801 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.436 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 39.6 tp -60.33 -46.0 91.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.657 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' ILE . 87.3 t80 -52.29 -46.22 65.83 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.633 0.73 . . . . 0.0 109.472 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -62.74 -37.86 88.26 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.019 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.9 m -60.0 -38.54 82.92 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.836 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.8 mt -70.52 -38.25 74.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.56 -48.64 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.75 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -63.38 -41.8 98.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -60.5 -27.83 67.89 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.74 17.04 60.56 Favored Glycine 0 N--CA 1.462 0.424 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.84 -55.96 5.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.446 -0.877 . . . . 0.0 111.007 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.527 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.951 0.405 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.0 tpt -57.19 -49.4 76.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.287 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.98 -44.11 90.4 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.18 0.515 . . . . 0.0 110.644 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.09 -46.9 88.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.548 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.75 -53.7 54.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.532 1.158 . . . . 0.0 109.776 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -54.2 -60.33 3.48 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.384 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' THR . 6.3 t -54.17 -47.09 72.38 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.956 0.407 . . . . 0.0 110.792 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -59.15 -46.87 87.23 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.483 0.659 . . . . 0.0 110.654 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 -23.94 50.01 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.457 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.5 mtm -119.07 -4.38 10.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.155 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' CYS . 97.0 m -107.2 -11.04 15.69 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.516 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.415 ' C ' ' N ' ' A' ' 20' ' ' TYR . 62.0 ttm-85 -70.45 -48.91 53.67 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.466 0.65 . . . . 0.0 109.281 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -47.54 -22.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.773 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.54 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 27.5 m-85 -88.88 107.68 19.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.957 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.567 ' C ' ' H ' ' A' ' 23' ' ' VAL . 47.2 mp0 -68.97 172.09 7.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.553 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.565 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 23.5 t-80 63.52 -0.98 0.63 Allowed 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.567 ' H ' ' C ' ' A' ' 21' ' ' GLU . 57.4 t -128.94 129.68 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.947 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 30.4 p-10 -148.56 110.37 4.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.487 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.97 103.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.549 0.69 . . . . 0.0 112.762 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.536 ' H ' ' CB ' ' A' ' 31' ' ' SER . 57.5 tt0 -104.08 -14.68 15.81 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.937 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.45 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 58.9 t30 -175.45 -169.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.344 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 57.4 m-85 -101.3 -11.21 19.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.022 0.439 . . . . 0.0 110.439 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.4 m -108.48 -68.33 0.92 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.378 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -60.06 -44.73 94.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.072 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.536 ' CB ' ' H ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -71.71 0.84 7.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.775 -178.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -115.49 -7.69 12.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.629 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -56.61 -24.75 50.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.411 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.2 m -76.35 -22.91 54.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.537 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.17 -11.43 23.1 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 108.712 -1.755 . . . . 0.0 108.712 -178.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.496 ' H ' ' C ' ' A' ' 34' ' ' SER . 57.8 mmm -63.56 -29.8 71.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.491 -0.855 . . . . 0.0 110.193 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.51 -53.2 58.35 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.837 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.39 -45.65 84.26 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.109 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.51 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 7.0 m -65.57 -46.35 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.165 0.507 . . . . 0.0 111.113 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.09 98.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.319 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.7 -44.4 96.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.4 HG21 HD11 ' A' ' 42' ' ' ILE . 30.6 mm -66.25 -43.95 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.529 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.54 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 28.1 t-80 -56.16 -12.43 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.461 . . . . 0.0 111.267 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -79.17 -38.64 35.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.689 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -83.26 -37.92 22.87 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -123.42 106.76 32.58 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.471 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -71.84 -29.34 15.55 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 121.912 1.741 . . . . 0.0 111.943 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -68.04 -16.07 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.69 -77.67 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.167 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -169.68 162.96 9.95 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.54 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -83.0 95.14 7.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.052 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 26.9 t80 -61.04 -20.71 62.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.29 -17.62 51.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.583 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -87.55 -14.52 39.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.589 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.9 mt -81.14 149.83 28.97 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.221 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 58' ' ' ALA . 71.9 m-20 -124.78 145.78 50.86 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.23 -11.43 1.08 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.91 1.74 . . . . 0.0 110.161 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.92 -43.45 68.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.012 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.06 75.97 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.137 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -83.14 -49.57 9.35 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -51.11 -45.57 61.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.245 0.545 . . . . 0.0 110.107 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.36 -34.72 77.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.643 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 29.0 t30 -61.2 -42.22 98.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.799 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.503 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 54.9 m-85 -69.45 -54.02 16.36 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.816 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.6 m -56.01 -42.62 76.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.47 -47.65 84.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.847 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.14 78.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.266 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -82.48 -48.79 10.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.779 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.9 p -63.31 -31.08 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.704 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -76.33 -50.27 14.71 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.44 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.451 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -65.23 -31.66 72.93 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.557 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 79.5 tt0 -69.96 -50.27 43.52 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.773 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -62.83 -35.99 81.72 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.4 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.0 mt -76.81 -47.3 21.89 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.01 9.2 8.09 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 97.1 m-20 47.03 37.63 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.939 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.5 m -49.38 -164.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.615 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.03 169.02 13.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.493 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.76 37.4 3.96 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.065 0.459 . . . . 0.0 110.055 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.54 -21.84 64.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.49 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -110.59 142.62 42.17 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.11 0.481 . . . . 0.0 112.002 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -114.45 131.99 56.42 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.377 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.2 t -48.93 -54.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.686 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -54.39 -45.97 73.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.445 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.35 -44.89 95.12 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.503 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 12.8 mtp -62.72 -44.2 96.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.476 0.655 . . . . 0.0 109.753 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.2 t -69.03 -42.34 82.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.077 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -71.46 -47.04 58.23 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.54 -51.41 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.459 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 66.48 21.24 10.83 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.9 t -162.93 92.59 1.2 Allowed Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 113.707 -1.588 . . . . 0.0 109.445 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -71.95 179.91 4.44 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 C-N-CA 121.783 1.655 . . . . 0.0 111.404 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -113.19 128.77 56.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.194 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.9 m -49.37 -33.95 14.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.023 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -72.81 -36.34 67.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 30.0 m -67.02 -42.51 84.78 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.388 0.614 . . . . 0.0 110.383 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.19 -44.82 80.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 23.7 t80 -60.7 -52.79 63.61 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.661 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 t -61.62 -40.57 95.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.914 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -62.78 -51.66 66.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.189 0.519 . . . . 0.0 110.158 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 105' ' ' TYR . 24.0 mm -59.48 -36.72 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.307 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -54.41 -57.84 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.426 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.15 -46.61 87.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.592 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.37 -44.21 97.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' ILE . 89.3 t80 -53.74 -48.76 69.34 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.785 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -59.0 -43.62 91.52 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.834 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.8 m -57.28 -37.69 72.78 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.932 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.31 -40.11 81.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.16 -48.48 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.012 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -64.34 -43.53 94.32 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.533 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -60.02 -27.09 66.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.228 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.46 17.58 60.18 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.1 mt -75.19 -45.6 39.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.952 -0.624 . . . . 0.0 111.043 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.465 0.299 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.442 -179.459 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.109 0.48 . . . . 0.0 110.049 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -59.95 -49.45 77.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.36 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.84 -40.91 88.1 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.571 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.92 -48.38 80.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.633 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.02 -49.85 72.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.689 1.233 . . . . 0.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -60.15 -60.04 4.45 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.261 -2.245 . . . . 0.0 111.443 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.8 m -52.48 -46.43 66.57 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.967 0.413 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -60.93 -46.74 89.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.359 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.25 -16.06 0.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.248 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.08 -1.88 12.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.098 -177.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -89.77 -13.6 36.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.187 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -67.24 -37.31 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.782 0.801 . . . . 0.0 110.183 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -62.26 -37.32 85.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.459 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.508 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 96.1 m-85 -93.68 156.09 16.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.234 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' A' ' 23' ' ' VAL . 96.8 mt-10 -119.34 172.75 7.39 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.652 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.621 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 31.9 t-80 62.82 3.98 1.33 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 21' ' ' GLU . 69.4 t -123.55 126.33 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.095 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -141.88 108.1 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.796 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -86.52 88.27 2.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.491 0.662 . . . . 0.0 112.389 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -94.58 -24.48 17.21 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.927 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.404 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 6.2 t-20 -148.49 -173.73 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.261 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.42 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 67.2 m-85 -107.33 -11.63 15.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 0.0 110.581 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 p -104.85 -73.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -60.77 -44.12 97.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.504 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.4 m -69.43 1.43 3.95 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.008 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 30.3 m95 -114.43 -3.71 13.0 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.708 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 t -62.27 -5.67 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.275 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 36' ' ' MET . 2.4 m -93.18 -26.13 17.53 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 79.65 -14.94 15.75 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -177.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.502 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.8 mmm -61.83 -25.92 67.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.506 -0.847 . . . . 0.0 110.313 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.14 -50.14 50.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.914 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -57.65 -46.25 84.43 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.21 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.524 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 2.4 m -69.43 -45.48 69.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.13 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.48 98.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.168 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.73 -44.63 95.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.873 0.368 . . . . 0.0 110.587 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 44' ' ' LYS . 8.7 mm -66.87 -44.5 88.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 59.9 t-80 -54.03 -10.56 0.35 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.028 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 42' ' ' ILE . 7.1 tmtm? -81.74 -35.98 29.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.927 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.98 -23.03 17.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.555 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -125.29 99.5 33.73 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.449 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.06 -39.69 1.11 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.842 1.695 . . . . 0.0 111.695 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -62.76 -13.99 39.43 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.8 -75.17 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 114.355 -1.293 . . . . 0.0 112.243 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 6.9 p90 -170.24 166.13 8.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.715 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -84.79 96.37 9.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -61.56 -21.73 64.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.868 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.51 -13.16 59.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.448 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -89.53 -19.71 24.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 120.947 0.403 . . . . 0.0 110.485 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.2 mt -79.41 150.8 31.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.12 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.52 ' C ' ' H ' ' A' ' 58' ' ' ALA . 1.4 m-20 -124.69 145.44 49.57 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.109 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -50.61 -11.22 0.35 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.194 1.929 . . . . 0.0 109.904 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -80.77 -8.45 59.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.029 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -114.22 53.52 0.79 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.136 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -69.53 -49.79 51.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.646 HH21 ' CD2' ' A' ' 62' ' ' HIS . 69.1 ttp85 -54.98 -46.69 75.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.291 0.567 . . . . 0.0 110.238 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.646 ' CD2' HH21 ' A' ' 61' ' ' ARG . 16.7 m-70 -66.26 -34.6 78.37 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.278 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.524 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 26.2 t-20 -63.48 -41.61 98.58 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.375 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 50.1 m-85 -68.67 -54.98 13.02 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.867 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.6 m -56.05 -44.2 78.61 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.83 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.8 tp -59.82 -48.29 82.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.222 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.87 79.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.028 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 44.9 m-85 -80.55 -51.39 8.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -61.36 -30.72 70.7 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.0 m -76.07 -50.01 15.91 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.468 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -30.83 71.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 76' ' ' ASP . 84.4 tt0 -70.91 -52.18 21.6 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.604 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.97 -38.91 87.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.669 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.2 mt -79.63 -45.58 18.83 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' CG ' ' A' ' 76' ' ' ASP . . . -123.9 5.89 8.69 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 72' ' ' GLU . 3.7 p-10 44.3 41.87 4.76 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.114 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.4 p -58.21 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.52 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.76 170.87 12.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.199 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -133.37 41.14 3.11 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 109.989 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.44 -23.16 66.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.498 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -115.03 143.59 44.94 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 121.272 0.558 . . . . 0.0 112.252 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 97.3 mt-10 -112.91 143.16 44.65 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.298 178.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.6 t -58.12 -51.96 64.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.366 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -53.99 -45.39 71.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.435 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.4 OUTLIER -65.5 -42.92 91.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.078 0.466 . . . . 0.0 110.384 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.566 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.2 mtp -62.24 -44.59 96.22 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.397 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.25 -41.95 81.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.7 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -71.25 -48.5 50.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.811 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.9 -51.71 60.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 0.0 110.25 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.4 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 61.72 24.52 14.61 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 74.3 t -162.08 89.19 1.44 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.581 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.14 -175.14 1.82 Allowed 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.925 1.75 . . . . 0.0 111.255 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -119.15 129.63 55.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.237 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.0 t -47.66 -31.94 5.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.967 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.477 ' O ' ' OG1' ' A' ' 99' ' ' THR . 61.1 tttp -75.43 -34.78 61.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.374 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -66.75 -54.02 27.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.115 0.483 . . . . 0.0 110.968 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.52 -43.87 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -58.28 -50.79 72.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.224 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 20.1 m -58.44 -41.7 85.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.119 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -62.15 -51.37 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.442 0.639 . . . . 0.0 110.316 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' TYR . 29.4 mm -61.42 -41.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.084 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -50.41 -62.03 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.653 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.88 -46.23 89.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.751 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.41 -45.21 94.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.742 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 101' ' ' ILE . 79.8 t80 -53.64 -47.44 70.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.535 0.684 . . . . 0.0 109.367 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -61.83 -37.71 85.46 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.974 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.3 t -60.63 -41.52 95.02 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.688 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 26.8 mt -68.04 -37.81 81.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.99 0.424 . . . . 0.0 111.235 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.43 -48.4 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -65.49 -41.33 93.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -61.94 -28.18 69.35 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.278 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.44 16.18 59.17 Favored Glycine 0 N--CA 1.463 0.49 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.5 mt -72.96 -43.59 62.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.442 -0.879 . . . . 0.0 110.923 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.277 -179.247 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 121.133 0.492 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.7 tpt -59.68 -49.16 78.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.481 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.42 -44.52 94.37 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.052 0.453 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.57 -47.19 86.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.44 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.83 -53.64 55.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 122.597 1.189 . . . . 0.0 109.953 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -53.83 -61.29 2.4 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 112.661 -2.063 . . . . 0.0 111.462 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 m -53.13 -44.59 67.82 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.968 0.413 . . . . 0.0 110.896 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 16' ' ' MET . 58.6 ttp180 -60.65 -56.25 23.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.674 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.44 -15.08 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.415 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.506 ' H ' ' C ' ' A' ' 14' ' ' ARG . 54.0 mtm -120.27 -4.18 9.97 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -95.38 -12.85 25.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -66.15 -47.15 75.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.646 0.736 . . . . 0.0 109.435 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -49.39 -28.57 5.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.683 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -93.65 153.81 18.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' A' ' 23' ' ' VAL . 95.8 mt-10 -114.6 172.23 7.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.95 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.604 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 50.7 t-80 60.83 6.47 1.19 Allowed 'General case' 0 C--N 1.334 -0.072 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.509 ' H ' ' C ' ' A' ' 21' ' ' GLU . 70.1 t -121.92 127.7 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.336 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 31' ' ' SER . 25.0 t0 -140.88 104.09 4.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.482 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.9 mt -88.36 79.28 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.397 0.618 . . . . 0.0 112.513 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -99.73 -8.83 23.77 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.796 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -157.01 174.11 16.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.508 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 73.7 m-85 -101.92 -10.13 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.99 0.424 . . . . 0.0 110.48 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -102.86 -73.11 0.67 Allowed 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 p -58.04 -42.76 86.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 43.4 m -72.42 1.97 7.02 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.189 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.428 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 38.1 m95 -116.19 -10.52 11.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.663 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -58.41 -18.46 28.38 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.474 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 36' ' ' MET . 5.4 m -88.01 -21.44 24.8 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.54 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.413 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.8 -10.7 23.87 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 108.951 -1.66 . . . . 0.0 108.951 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.497 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.9 mmm -60.08 -28.17 67.6 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.778 -0.711 . . . . 0.0 110.074 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.57 -49.12 51.22 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.683 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.13 -46.8 85.0 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.069 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 8.1 m -69.03 -45.5 70.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.402 . . . . 0.0 111.011 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.17 98.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.406 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.95 -44.38 96.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.875 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.445 ' C ' ' H ' ' A' ' 44' ' ' LYS . 5.9 mm -66.54 -44.43 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.753 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 26.6 t-80 -54.65 -10.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.298 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 42' ' ' ILE . 35.1 tptt -80.52 -36.16 33.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.608 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -96.84 -20.78 17.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.859 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -126.41 99.82 30.0 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.47 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.441 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_endo -74.59 -35.26 3.7 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.912 1.741 . . . . 0.0 111.862 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -70.44 -2.48 13.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -58.27 -75.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.189 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.4 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.2 p90 -170.73 164.11 8.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.637 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -85.99 96.51 9.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -60.75 -21.83 63.4 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.58 -12.87 59.45 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.472 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -95.0 -16.26 22.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.926 0.393 . . . . 0.0 110.613 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.7 mt -80.18 155.64 27.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.138 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.96 162.42 37.19 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.507 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -73.5 -16.59 24.23 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.062 1.842 . . . . 0.0 110.328 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.61 74.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.439 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -84.69 52.34 2.37 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.059 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -65.42 -43.04 91.78 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -53.14 -47.36 68.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.221 0.534 . . . . 0.0 110.29 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -67.13 -35.48 79.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.788 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.514 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 20.4 t-20 -62.13 -43.29 99.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.641 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 46.9 m-85 -67.43 -55.38 13.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.781 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 m -54.83 -42.74 72.28 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.59 -48.92 79.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.339 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.4 77.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.187 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 48.1 m-85 -79.86 -49.73 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.4 m -62.12 -30.26 70.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.9 m -77.42 -45.69 25.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.613 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -64.91 -35.26 80.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' ASP . 40.5 tt0 -71.1 -49.73 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.897 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.29 -40.8 97.48 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.916 -0.713 . . . . 0.0 110.925 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.99 -33.09 19.72 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -125.85 0.01 7.33 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 72' ' ' GLU . 68.3 m-20 46.73 37.03 4.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.813 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' ASP . 30.1 p -49.43 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.621 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.43 171.89 9.41 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.38 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -126.25 67.85 1.21 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -103.73 -22.41 13.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.434 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.28 139.52 46.61 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.225 0.536 . . . . 0.0 112.175 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -113.83 128.25 56.33 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.231 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.4 t -46.69 -53.41 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.6 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -54.25 -45.26 72.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.265 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.71 -43.23 99.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.308 0.575 . . . . 0.0 110.112 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.579 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 12.5 mtp -63.23 -43.03 99.2 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.371 0.605 . . . . 0.0 110.01 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.38 -51.91 67.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.951 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.519 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 13.0 ptm180 -69.94 -45.65 67.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.891 0.377 . . . . 0.0 111.288 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.519 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 35.6 mt -53.13 -63.22 1.22 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.149 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 68.16 17.96 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 91' ' ' VAL . 69.8 t -159.64 60.61 1.56 Allowed Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.671 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.456 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.9 Cg_endo -43.98 174.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.042 1.828 . . . . 0.0 111.483 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.488 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 92.1 m-20 -106.41 125.81 51.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.945 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.8 p -53.12 -33.86 54.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.36 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -68.62 -43.59 76.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.596 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 1.8 p -62.56 -44.9 95.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.344 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.591 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 97.3 t -61.38 -45.85 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.482 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 15.0 t80 -60.6 -50.78 72.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.134 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.2 m -58.9 -42.92 90.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.623 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -62.02 -50.24 72.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.421 0.629 . . . . 0.0 110.158 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.9 mm -61.63 -40.44 86.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -53.51 -58.68 6.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -58.72 -42.97 89.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.869 0.842 . . . . 0.0 109.957 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.94 -39.79 87.4 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.927 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 101' ' ' ILE . 78.3 t80 -56.45 -51.37 68.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -63.84 -36.24 83.25 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.956 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.3 m -60.97 -37.7 83.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.65 -37.97 80.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.651 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.76 -48.26 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -61.8 -44.99 95.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -60.19 -25.25 65.43 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.225 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.06 16.72 62.46 Favored Glycine 0 N--CA 1.465 0.573 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.57 -45.86 50.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.773 -0.714 . . . . 0.0 110.998 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.019 -179.196 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 8' ' ' MET . 18.7 p30 . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.874 0.368 . . . . 0.0 110.173 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.509 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 0.9 OUTLIER -59.0 -48.28 82.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.319 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.44 -44.35 91.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.701 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.38 -46.82 88.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.347 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -58.99 -53.67 55.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.641 1.21 . . . . 0.0 110.087 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.11 -61.49 2.28 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 112.62 -2.082 . . . . 0.0 110.789 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.2 t -52.45 -44.05 65.28 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.051 0.453 . . . . 0.0 110.72 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.74 -44.13 97.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.376 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.19 -22.52 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.952 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mtt -105.91 -9.68 17.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m -79.49 -15.32 57.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.06 0.457 . . . . 0.0 111.46 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -64.8 -41.01 96.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.43 0.633 . . . . 0.0 109.733 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.01 -36.51 84.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.441 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.524 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 70.3 m-85 -92.62 150.2 20.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.008 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 23' ' ' VAL . 12.7 pt-20 -118.99 176.8 5.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.356 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.6 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 53.9 t-80 63.52 5.4 2.11 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-O 121.795 0.807 . . . . 0.0 108.832 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 21' ' ' GLU . 78.8 t -123.8 129.21 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.885 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -137.08 104.98 5.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.722 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.5 mt -80.54 91.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 112.673 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -99.95 -25.13 14.43 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.762 -1.108 . . . . 0.0 108.798 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.715 HD22 ' H ' ' A' ' 30' ' ' SER . 52.5 p-10 -156.56 -172.75 4.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.336 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.458 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 54.1 m-85 -103.2 -8.32 20.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.058 0.456 . . . . 0.0 110.592 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -102.75 -74.99 0.62 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.715 ' H ' HD22 ' A' ' 27' ' ' ASN . 7.1 t -60.9 -42.27 97.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.498 -178.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.9 m -70.73 -1.43 11.43 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.195 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.458 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.0 m95 -112.6 -5.92 13.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.739 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 t -61.21 -5.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.533 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 36' ' ' MET . 91.6 p -93.16 -24.06 18.36 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.62 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.96 -12.32 24.37 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.48 ' H ' ' C ' ' A' ' 34' ' ' SER . 33.1 mmm -62.8 -31.1 72.02 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.807 -0.697 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -52.68 61.72 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.827 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -57.79 -45.35 86.18 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.13 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 11.1 m -65.81 -47.57 74.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.991 0.424 . . . . 0.0 111.282 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -63.06 -42.19 99.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.414 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.09 -44.19 96.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.021 0.438 . . . . 0.0 110.979 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 42' ' ' ILE . 25.8 mm -66.2 -42.91 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.74 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.524 ' HD1' ' HH ' ' A' ' 20' ' ' TYR . 42.2 t-80 -54.11 -48.18 71.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.831 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.52 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 6.1 tmtt? -45.27 -34.08 2.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.658 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.8 m-85 -94.15 -28.92 15.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.863 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -121.9 99.93 43.75 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.354 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.604 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_endo -75.25 -38.69 1.38 Allowed 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.971 1.781 . . . . 0.0 111.904 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 11.44 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.604 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -75.41 -71.65 0.35 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.788 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -169.97 163.13 9.42 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.598 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -85.65 96.67 9.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -58.15 -22.43 51.13 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.954 0.407 . . . . 0.0 110.921 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.47 -16.83 53.39 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -88.43 -15.84 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.3 mt -82.98 154.39 24.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.181 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -126.14 161.47 51.63 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.463 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -74.34 -9.88 21.98 Favored 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 122.019 1.813 . . . . 0.0 110.005 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.29 76.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.598 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -95.2 71.82 3.3 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.87 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.59 -46.51 59.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.092 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -50.78 -56.96 9.65 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.325 0.584 . . . . 0.0 110.965 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -57.92 -35.71 71.46 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.542 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 t-20 -62.37 -42.67 99.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.549 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 50.6 m-85 -69.83 -52.1 27.93 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.6 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' SER . 18.3 m -56.61 -44.32 81.02 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.77 -46.28 91.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.182 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.76 90.92 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.267 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -81.01 -51.65 8.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.111 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 65' ' ' THR . 38.8 m -60.39 -27.86 67.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.693 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.3 m -78.78 -47.64 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.447 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.49 75.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.76 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' ASP . 82.1 tt0 -73.36 -50.18 23.31 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.783 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.22 -40.96 91.99 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.632 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.9 mt -79.31 -43.27 23.95 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 76' ' ' ASP . . . -125.05 6.65 7.93 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 72' ' ' GLU . 4.1 p-10 41.92 46.79 3.59 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.452 0.644 . . . . 0.0 109.998 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.8 t -58.5 -163.3 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.474 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.74 167.87 17.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.326 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -125.14 63.05 1.16 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -96.61 -22.94 16.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.669 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.1 mt -114.93 137.31 52.14 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.2 0.524 . . . . 0.0 112.171 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.64 139.18 47.3 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.962 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.18 -51.61 68.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.629 -178.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.71 -44.77 73.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.009 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.02 -42.69 97.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.411 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.8 mtp -62.39 -42.52 99.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.332 0.587 . . . . 0.0 109.45 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.8 -44.87 96.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.949 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -72.6 -47.64 46.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.863 0.363 . . . . 0.0 111.737 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.6 mt -56.6 -60.12 4.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.228 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 66.17 19.36 11.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.9 t -161.91 88.19 1.5 Allowed Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 113.692 -1.594 . . . . 0.0 109.358 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -72.73 -174.36 1.47 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 121.879 1.719 . . . . 0.0 111.444 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.495 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 57.4 t0 -123.69 130.48 52.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.6 p -48.81 -31.48 7.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.081 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' O ' ' OG1' ' A' ' 99' ' ' THR . 18.7 tptp -71.12 -40.77 71.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.731 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 4.0 p -66.09 -47.76 73.15 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.73 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.629 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 84.1 t -64.37 -44.14 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 26.4 t80 -59.67 -51.0 71.68 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.173 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.5 m -57.85 -44.31 86.46 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.94 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -62.05 -49.85 74.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.293 0.568 . . . . 0.0 110.035 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.5 mm -60.86 -41.43 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.896 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -51.43 -61.54 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.61 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.64 -45.57 89.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.628 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.5 -44.33 96.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.383 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 81.2 t80 -53.74 -48.74 69.38 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.733 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -59.94 -43.57 94.89 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.085 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.5 p -60.11 -37.45 80.03 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.986 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.14 -39.68 82.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.11 -49.72 82.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -62.12 -45.67 92.43 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -58.5 -27.85 64.85 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.274 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.81 17.29 58.38 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.4 mt -73.85 -44.3 55.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.784 -0.708 . . . . 0.0 111.044 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.122 -179.121 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.0 t30 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 tpt -58.48 -51.0 71.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.545 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' CD1' ' CE2' ' A' ' 98' ' ' TYR . 88.7 mt -64.71 -43.37 93.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.465 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.93 -47.48 84.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.451 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.04 -50.88 71.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.671 1.224 . . . . 0.0 109.716 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.436 ' O ' ' CE ' ' A' ' 16' ' ' MET . 82.2 t90 -59.39 -60.94 3.05 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.478 -2.146 . . . . 0.0 111.266 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.2 m -51.71 -44.56 63.22 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.127 0.489 . . . . 0.0 110.79 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' A' ' 16' ' ' MET . 77.0 ttt-85 -63.03 -49.67 73.68 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.28 -12.72 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.428 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.531 ' H ' ' C ' ' A' ' 14' ' ' ARG . 1.9 mpp? -110.97 -17.38 13.31 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.606 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ARG . 48.2 m -70.09 -15.78 63.03 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.299 0.375 . . . . 0.0 111.482 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -65.96 -36.16 82.58 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.582 0.706 . . . . 0.0 109.932 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -67.23 -38.75 85.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.643 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.462 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 97.0 m-85 -95.53 155.37 16.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.84 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 23' ' ' VAL . 98.0 mt-10 -119.16 174.51 6.29 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.611 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 51.0 t-80 60.99 6.35 1.21 Allowed 'General case' 0 C--O 1.227 -0.108 0 CA-C-O 122.082 0.944 . . . . 0.0 108.577 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.507 ' H ' ' C ' ' A' ' 21' ' ' GLU . 74.8 t -122.66 127.39 74.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.862 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 31' ' ' SER . 70.2 m-20 -136.57 105.75 6.01 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.194 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CD1' ' OG1' ' A' ' 17' ' ' THR . 45.1 mt -85.64 83.65 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 121.43 0.633 . . . . 0.0 111.956 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -99.1 -21.69 16.05 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.077 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 30' ' ' SER . 4.8 p30 -148.98 179.56 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.289 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -104.37 -9.05 18.77 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.146 0.498 . . . . 0.0 110.405 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 30' ' ' SER . 93.0 p -102.55 -72.99 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.839 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.452 ' N ' ' OG ' ' A' ' 29' ' ' SER . 67.4 m -59.54 -42.26 91.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.498 -178.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 16.8 t -71.51 2.39 5.13 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.17 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -116.99 -7.67 11.33 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.656 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -56.54 -31.58 64.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.465 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.1 m -72.51 -22.85 60.98 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.0 -11.42 21.99 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.577 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 60.1 mtp -62.46 -27.19 68.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.424 -0.888 . . . . 0.0 110.071 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.8 -50.0 53.91 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.482 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.93 -46.3 88.3 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.105 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.513 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 3.8 m -65.57 -47.12 76.87 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.013 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.52 98.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.363 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.39 -43.12 98.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.046 0.451 . . . . 0.0 110.89 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 mm -65.99 -39.99 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.573 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.462 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 43.3 t-80 -57.26 -42.28 81.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -49.15 -36.68 19.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.135 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -93.73 -29.57 15.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.085 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -120.93 100.51 46.04 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.1 Cg_exo -74.92 -40.92 0.77 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.876 1.718 . . . . 0.0 111.707 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -63.11 -11.12 17.75 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -50.16 -75.64 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.076 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -169.07 163.47 11.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.64 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -83.64 95.3 8.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -60.93 -19.46 60.69 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.071 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.54 -13.69 57.77 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.566 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -95.42 -15.21 23.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.645 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.6 mt -81.84 153.03 26.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.949 0.404 . . . . 0.0 111.003 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -123.41 165.58 22.21 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.326 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -74.37 -12.16 22.86 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.301 2.001 . . . . 0.0 110.042 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.39 80.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -86.44 60.18 6.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -69.84 -51.17 35.74 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -52.02 -49.29 63.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.307 0.575 . . . . 0.0 110.196 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -64.77 -33.42 75.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.513 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 20.9 t-20 -62.15 -41.27 98.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.671 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 26.6 m-85 -69.49 -53.58 18.44 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.742 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.5 m -53.88 -41.5 67.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.39 -50.01 75.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.058 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.02 -36.06 72.16 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.962 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -82.56 -52.84 6.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.272 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 m -59.74 -31.41 69.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.035 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -76.97 -50.89 12.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.235 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.35 71.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.817 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 76' ' ' ASP . 65.0 mm-40 -71.2 -50.98 27.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.698 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.38 -38.79 88.29 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.68 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -79.8 -42.98 23.28 Favored 'General case' 0 CA--C 1.53 0.212 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.475 ' O ' ' CG ' ' A' ' 76' ' ' ASP . . . -127.36 6.29 6.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 72' ' ' GLU . 3.1 p30 43.19 42.81 3.65 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.339 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.4 p -57.31 -162.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.402 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.32 169.56 13.61 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.235 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -129.13 43.24 3.18 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.08 -24.86 64.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.392 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mt -112.87 140.12 47.93 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.126 0.488 . . . . 0.0 112.207 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 80.8 mm-40 -114.56 126.81 55.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.378 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.6 t -43.66 -51.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.283 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -52.73 -45.56 67.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.38 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -68.51 -40.71 80.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.088 0.47 . . . . 0.0 110.311 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 8.6 mtp -61.7 -45.43 94.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.716 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.9 -42.71 85.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.933 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -70.85 -47.61 58.39 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -64.44 -51.44 63.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.273 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.42 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 62.57 25.31 15.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 53.9 t -163.91 92.17 1.08 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.703 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -72.68 -175.02 1.66 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.887 1.725 . . . . 0.0 111.393 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -120.91 131.14 54.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.24 0.543 . . . . 0.0 110.362 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.5 p -48.41 -32.28 7.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.037 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.488 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -77.68 -32.42 53.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.486 179.298 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.5 m -67.01 -52.69 39.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.063 0.459 . . . . 0.0 110.588 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.45 -43.58 98.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 17.0 t80 -57.65 -51.21 70.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.376 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 14.7 m -57.9 -42.56 84.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.214 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -61.76 -50.47 72.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.459 0.647 . . . . 0.0 110.138 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 105' ' ' TYR . 27.3 mm -61.36 -40.98 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.053 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.512 HE21 ' NH1' ' A' ' 106' ' ' ARG . 33.3 tt0 -50.09 -63.59 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.783 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.9 -46.54 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.7 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.42 -45.98 90.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.698 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' ILE . 85.1 t80 -51.84 -46.74 64.47 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.685 0.755 . . . . 0.0 109.55 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.512 ' NH1' HE21 ' A' ' 102' ' ' GLN . 94.4 mtt180 -61.81 -38.32 87.69 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.04 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.4 m -61.22 -39.06 88.85 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.123 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.3 mt -68.12 -36.13 79.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.35 -48.38 85.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -64.35 -47.48 79.15 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -56.96 -29.18 62.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.246 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.76 17.83 55.78 Favored Glycine 0 N--CA 1.464 0.554 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.5 mt -73.29 -44.96 58.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.361 -0.92 . . . . 0.0 111.034 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.305 -179.307 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 121.036 0.446 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.9 OUTLIER -60.15 -55.5 33.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.54 -179.555 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.1 mt -65.46 -41.58 93.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.795 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 49.2 tp -62.02 -48.44 80.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.699 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -58.44 -51.24 70.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.593 1.187 . . . . 0.0 110.15 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -55.78 -62.32 1.77 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 112.457 -2.156 . . . . 0.0 111.611 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 14.6 p -50.75 -45.23 58.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.007 0.432 . . . . 0.0 111.396 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.606 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 51.2 ttt85 -61.15 -45.24 95.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.169 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.97 -21.84 1.97 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.389 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mmt -96.5 -3.81 42.6 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.601 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.45 ' O ' ' O ' ' A' ' 20' ' ' TYR . 75.7 p -91.49 -13.24 32.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.319 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -65.23 -45.32 85.14 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.589 0.709 . . . . 0.0 109.736 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -65.63 -35.81 81.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.091 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.541 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 37.4 m-85 -90.52 150.38 21.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.795 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 23' ' ' VAL . 12.5 pt-20 -115.14 172.27 7.17 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.61 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.611 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 27.5 t-80 62.38 5.1 1.47 Allowed 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 21' ' ' GLU . 82.4 t -125.15 128.77 73.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' A' ' 31' ' ' SER . 39.8 t0 -147.52 106.29 3.82 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.9 mt -85.29 92.17 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -98.18 -20.76 17.1 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.656 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -152.39 -178.48 6.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.419 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.422 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 53.0 m-85 -102.5 -11.52 18.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.926 0.394 . . . . 0.0 110.427 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.444 ' HG ' ' H ' ' A' ' 30' ' ' SER . 84.9 p -101.31 -75.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.444 ' H ' ' HG ' ' A' ' 29' ' ' SER . 46.5 m -56.77 -42.59 79.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.693 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 41.1 t -72.93 1.46 8.73 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.382 -178.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.422 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.1 m95 -114.15 -10.46 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.597 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -62.23 -7.06 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.433 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 36' ' ' MET . 6.0 t -91.85 -22.5 20.06 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.66 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.559 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.71 -13.37 18.1 Favored Glycine 0 CA--C 1.519 0.292 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.519 ' H ' ' C ' ' A' ' 34' ' ' SER . 49.9 mmm -61.93 -32.15 72.53 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.569 -0.816 . . . . 0.0 110.145 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.12 55.46 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.7 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -58.71 -45.4 89.62 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.186 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.622 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 14.8 p -70.27 -46.07 65.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.003 0.43 . . . . 0.0 111.299 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.622 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -64.8 -42.27 95.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.51 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.51 -44.2 96.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.889 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.47 -35.25 71.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.229 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.541 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 40.8 t-80 -59.81 -36.99 77.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.139 0.495 . . . . 0.0 110.85 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -54.9 -37.65 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.296 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -90.89 -35.51 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.818 -178.213 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -116.62 103.14 52.92 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.392 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_exo -75.01 -40.67 0.82 Allowed 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.922 1.748 . . . . 0.0 111.768 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.41 -0.56 3.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -56.19 -76.7 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.084 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -168.1 162.28 13.0 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.609 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -81.55 96.87 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -62.2 -19.11 62.78 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.54 -22.49 34.94 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.624 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -81.46 -20.1 40.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.979 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.5 mt -72.12 -171.25 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.477 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -159.32 164.47 20.63 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.233 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -74.95 -20.26 17.15 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.215 1.944 . . . . 0.0 110.246 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.16 -42.99 71.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.401 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.78 54.82 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.243 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 -69.84 -42.05 74.1 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -50.26 -54.73 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.391 0.615 . . . . 0.0 110.409 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -62.56 -31.82 72.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.807 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 46.6 t30 -61.94 -42.61 99.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 50.4 m-85 -67.98 -55.6 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.399 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -53.26 -42.79 66.86 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' O ' ' OG1' ' A' ' 70' ' ' THR . 55.8 tp -61.38 -46.95 88.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.013 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.07 87.08 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.034 -0.667 . . . . 0.0 110.086 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.98 -49.69 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.2 t -61.65 -28.84 69.67 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 32.4 m -77.84 -47.14 19.54 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.313 178.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.58 76.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 76' ' ' ASP . 13.0 tm-20 -72.04 -49.97 32.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.792 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -60.3 -40.3 90.01 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.859 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.51 -45.17 22.62 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.93 8.69 7.45 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 72' ' ' GLU . 69.3 m-20 46.44 36.78 3.7 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.94 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 76' ' ' ASP . 94.8 m -49.97 -163.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.547 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.73 168.59 14.21 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.384 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.86 41.32 3.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.928 0.394 . . . . 0.0 109.953 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.06 -20.97 63.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.548 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mt -116.26 138.71 51.08 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.166 0.507 . . . . 0.0 112.28 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 49.7 mp0 -108.32 144.2 36.17 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.273 178.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.7 t -58.32 -51.65 68.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.441 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.2 p30 -55.33 -46.78 76.34 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.132 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 35.0 t0 -63.2 -43.92 96.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.054 0.455 . . . . 0.0 110.004 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.452 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.8 mtp -62.55 -44.52 96.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.347 0.594 . . . . 0.0 109.87 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.64 -41.28 77.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.883 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.405 ' NH2' ' OD1' ' A' ' 85' ' ' ASP . 65.3 ttp85 -70.72 -45.84 64.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.807 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.38 -51.68 62.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.081 0.467 . . . . 0.0 110.315 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.402 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 63.8 21.06 12.51 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.4 -1.334 . . . . 0.0 107.4 -177.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 68.6 t -162.26 89.0 1.41 Allowed Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.462 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -72.46 -173.0 1.02 Allowed 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.983 1.789 . . . . 0.0 111.397 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.76 130.77 53.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.251 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.9 p -48.73 -31.62 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.092 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -76.22 -34.07 59.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.486 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 59.4 m -69.12 -40.97 77.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.455 0.645 . . . . 0.0 110.581 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.18 -43.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.244 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.6 t80 -61.92 -53.05 61.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.845 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 100' ' ' TYR . 14.2 t -58.8 -42.5 89.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.331 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.415 ' N ' ' CG2' ' A' ' 99' ' ' THR . 47.9 t80 -61.4 -49.92 74.95 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.376 0.608 . . . . 0.0 110.053 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.13 -36.91 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.926 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -54.68 -56.75 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.701 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -60.12 -45.8 91.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.332 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.43 -43.94 96.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.707 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -54.01 -47.26 71.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.431 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.39 -40.47 90.99 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.871 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 t -61.01 -39.2 88.81 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.72 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.31 -37.61 83.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.828 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.43 -49.21 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -65.24 -49.16 70.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -51.99 -30.57 25.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.273 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.96 17.13 58.45 Favored Glycine 0 N--CA 1.463 0.487 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.36 -47.04 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.515 -0.843 . . . . 0.0 111.061 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.475 -179.768 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.963 0.411 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.7 tpt -59.9 -46.67 88.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.311 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.7 -44.34 90.58 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.536 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.431 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 14.1 tp -61.45 -46.82 88.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.406 -179.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.32 -53.26 60.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.626 1.203 . . . . 0.0 110.118 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -53.98 -60.13 3.73 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 112.489 -2.142 . . . . 0.0 111.551 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 13.6 p -53.89 -43.09 69.36 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.128 0.49 . . . . 0.0 111.084 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.598 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 33.9 ttm180 -58.48 -47.07 85.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.352 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.72 -26.28 3.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.232 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.467 ' N ' ' SD ' ' A' ' 16' ' ' MET . 3.5 mmt -97.63 -6.65 32.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.418 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.5 m -87.19 -14.42 41.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.366 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -65.18 -42.87 93.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.662 0.744 . . . . 0.0 109.617 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 29.6 t-20 -62.98 -35.61 80.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.911 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.607 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 57.4 m-85 -91.53 151.17 20.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.125 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 23' ' ' VAL . 15.1 pt-20 -119.29 174.28 6.44 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.517 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.632 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 39.4 t-80 62.49 3.02 0.99 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 21' ' ' GLU . 89.8 t -123.94 127.16 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.308 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 29.5 p-10 -141.18 106.94 5.11 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.904 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.9 mt -85.34 89.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.492 0.663 . . . . 0.0 112.395 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -103.39 -2.63 26.68 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.946 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -167.03 178.38 5.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.264 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 42.6 m-85 -104.18 -12.11 16.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.929 0.395 . . . . 0.0 110.284 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 m -103.03 -72.99 0.68 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -60.04 -42.48 94.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.464 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.9 m -70.91 0.92 6.28 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.289 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.408 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 32.3 m95 -113.96 -6.38 13.17 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.647 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.6 m -54.89 -40.73 70.09 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.437 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.3 m -64.26 -22.99 67.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.51 -9.28 36.12 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.481 ' H ' ' C ' ' A' ' 34' ' ' SER . 53.9 mmm -62.19 -29.83 70.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.545 -0.828 . . . . 0.0 110.28 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.79 -51.34 56.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.839 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -45.95 86.28 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.366 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 3.6 m -68.87 -46.36 68.64 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.36 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.34 89.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.383 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.9 -43.92 91.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.927 0.394 . . . . 0.0 110.851 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.49 ' C ' ' H ' ' A' ' 44' ' ' LYS . 2.8 mm -66.98 -45.08 87.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.918 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.607 ' CG ' ' HH ' ' A' ' 20' ' ' TYR . 31.7 t-80 -57.28 -6.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 -178.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.98 -36.3 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.772 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -84.67 -40.72 17.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.855 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 49' ' ' ALA . 34.4 m-85 -118.57 78.34 14.96 Favored Pre-proline 0 C--O 1.22 -0.448 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.212 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.492 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.1 Cg_endo -46.57 -34.05 14.28 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 121.819 1.679 . . . . 0.0 111.678 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -68.29 -1.1 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 46' ' ' PHE . . . -54.75 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.618 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.2 p90 -167.22 160.74 13.95 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.619 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -78.51 90.31 4.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.406 ' HH ' ' CG2' ' A' ' 23' ' ' VAL . 56.6 t80 -62.17 -22.04 65.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.15 -12.79 59.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.512 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -94.05 -12.84 27.72 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.723 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.25 152.19 25.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.954 0.407 . . . . 0.0 110.897 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' C ' ' H ' ' A' ' 58' ' ' ALA . 22.3 m-20 -124.79 144.87 47.96 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.305 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.12 -12.17 1.32 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.043 1.828 . . . . 0.0 109.921 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.83 -45.75 63.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.649 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -85.96 60.08 6.02 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.316 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 19.4 ptp180 -73.74 -45.75 50.07 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 82.0 mtp180 -52.35 -48.6 65.42 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.409 0.623 . . . . 0.0 110.089 -178.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -66.94 -34.54 77.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.524 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.52 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 20.5 t-20 -61.7 -43.13 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.152 0.501 . . . . 0.0 110.539 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.52 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 52.5 m-85 -65.94 -57.7 7.24 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.569 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 m -51.58 -41.32 61.08 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.69 -50.06 75.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.218 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.87 80.49 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.895 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -78.16 -46.05 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.73 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.4 m -64.98 -27.51 68.88 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.665 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.6 m -77.43 -47.58 19.38 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.328 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.19 79.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' ASP . 83.2 tt0 -74.34 -49.54 22.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.091 0.472 . . . . 0.0 110.769 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -58.46 -43.23 88.77 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.459 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.76 -51.78 9.3 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.061 0.764 . . . . 0.0 113.061 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 8.47 15.83 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 72' ' ' GLU . 74.9 m-20 45.21 43.59 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.927 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 76' ' ' ASP . 14.6 p -49.05 -166.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.487 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.76 172.89 9.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.255 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -127.52 68.6 1.3 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -101.58 -26.14 13.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.653 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.9 mt -116.26 142.71 46.48 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.383 0.611 . . . . 0.0 111.923 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -111.52 143.02 43.05 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.694 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.05 -51.18 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.138 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -53.97 -44.95 71.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.008 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -59.53 -44.4 93.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 2.6 mtm -62.35 -47.16 85.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.439 0.637 . . . . 0.0 110.289 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.0 t -63.03 -43.78 99.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.645 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -72.46 -48.86 37.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.781 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.9 -47.99 67.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.371 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 57.05 29.0 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 61.3 t -164.24 88.91 1.11 Allowed Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 113.789 -1.55 . . . . 0.0 109.63 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -71.22 -171.83 0.66 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 121.881 1.72 . . . . 0.0 111.42 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -124.13 131.5 53.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.289 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 76.4 p -49.24 -32.3 10.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.056 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -74.89 -35.53 62.26 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.537 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -66.58 -52.85 40.93 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.05 -43.33 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.021 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 16.4 t80 -59.81 -51.0 71.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.05 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.6 m -58.49 -44.67 89.5 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.77 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.85 -49.9 75.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.482 0.658 . . . . 0.0 110.19 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 105' ' ' TYR . 5.5 mm -60.75 -40.3 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.088 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -50.59 -62.05 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -58.46 -45.44 88.6 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.755 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.6 -45.3 94.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.97 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.3 t80 -52.34 -47.57 65.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.49 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -60.65 -39.73 89.4 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.996 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 m -59.24 -39.38 82.59 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.952 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.8 mt -69.07 -37.15 78.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.2 -48.64 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -65.18 -44.07 89.61 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -58.88 -26.8 64.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.327 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.93 18.78 60.61 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.64 -50.62 17.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.486 -0.857 . . . . 0.0 110.856 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.594 -179.648 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.997 0.427 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 tpt -60.42 -48.45 81.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.332 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.14 -43.34 92.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.46 -47.26 86.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.454 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.54 -49.41 76.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.629 1.204 . . . . 0.0 110.004 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -61.17 -62.48 1.81 Allowed 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 112.533 -2.121 . . . . 0.0 111.226 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 m -51.61 -48.93 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.016 0.436 . . . . 0.0 110.764 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -60.28 -47.04 87.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.311 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -54.66 -24.15 20.43 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.365 -178.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -106.75 -2.13 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.742 -179.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -10.13 34.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.343 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -67.35 -37.77 83.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.669 0.747 . . . . 0.0 109.283 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -56.79 -33.61 66.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.523 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 66.9 m-85 -106.98 102.11 11.49 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.855 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.595 ' C ' ' H ' ' A' ' 23' ' ' VAL . 95.8 mt-10 -66.56 -172.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.626 0.25 . . . . 0.0 110.757 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.635 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 32.2 t-80 60.15 1.48 0.35 Allowed 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.911 0.862 . . . . 0.0 108.838 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.595 ' H ' ' C ' ' A' ' 21' ' ' GLU . 77.9 t -124.01 128.45 74.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.878 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 41.9 p-10 -140.67 106.44 5.14 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.7 mt -86.27 83.74 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 121.392 0.615 . . . . 0.0 112.48 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.509 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 88.8 mt-30 -95.93 -20.69 18.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.958 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 26' ' ' GLN . 17.7 m120 -147.67 179.0 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.179 178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 72.5 m-85 -104.69 -9.88 17.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.983 0.42 . . . . 0.0 110.437 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -105.21 -72.74 0.7 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.8 t -60.74 -44.21 96.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.447 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m -69.47 0.05 5.79 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.073 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.449 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 28.2 m95 -112.16 -3.83 14.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.637 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -64.92 -0.5 1.56 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.438 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.514 ' C ' ' H ' ' A' ' 36' ' ' MET . 3.1 m -95.33 -25.2 16.4 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.35 -14.89 14.05 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -178.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.602 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 33.6 mtt -64.23 -33.5 75.94 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.64 -0.78 . . . . 0.0 110.4 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -53.57 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.547 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -58.57 -46.6 86.58 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.136 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.516 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 1.6 m -67.4 -46.15 74.08 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.925 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.6 97.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.963 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.42 -43.66 96.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.862 0.363 . . . . 0.0 110.492 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.49 ' C ' ' H ' ' A' ' 44' ' ' LYS . 3.0 mm -66.27 -44.31 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.534 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.624 ' CD2' ' H ' ' A' ' 52' ' ' TYR . 63.0 t-80 -52.81 -10.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.168 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 42' ' ' ILE . 16.6 tptp -84.09 -35.27 23.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.645 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.99 -31.49 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.022 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -131.28 95.93 23.14 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.525 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -76.32 -42.06 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.989 1.793 . . . . 0.0 111.6 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.48 -17.55 14.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.97 -60.1 3.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.928 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 30.4 p90 -172.6 165.61 5.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.481 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -94.13 109.46 21.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.624 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 67.7 t80 -63.04 -17.38 62.17 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.88 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.36 -24.3 37.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.715 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -75.6 -18.8 59.61 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.9 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -68.1 -179.9 1.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.021 0.439 . . . . 0.0 111.319 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 58' ' ' ALA . 12.6 t70 -159.16 137.0 7.32 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.321 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.492 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 1.8 Cg_endo -52.43 -11.17 1.06 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.909 1.739 . . . . 0.0 109.909 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -83.51 -10.11 58.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.132 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.44 57.08 0.77 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.939 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' A' ' 57' ' ' PRO . 88.4 mtm-85 -70.2 -51.01 34.26 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -51.9 -45.83 64.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.36 0.6 . . . . 0.0 110.484 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -67.01 -35.19 79.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.768 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.516 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 22.3 t-20 -62.36 -43.53 98.61 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.798 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.554 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 50.6 m-85 -67.91 -55.01 14.42 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.75 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.5 m -53.47 -43.57 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.122 0.487 . . . . 0.0 109.77 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.457 ' O ' ' OG1' ' A' ' 70' ' ' THR . 59.9 tp -60.9 -46.48 90.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.087 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.86 88.18 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.259 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -79.52 -47.57 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.746 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.7 m -61.28 -27.41 68.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.771 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 21.0 m -80.38 -46.2 16.44 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.047 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.47 83.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 76' ' ' ASP . 49.0 mt-10 -76.8 -47.12 22.48 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.195 0.522 . . . . 0.0 111.02 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -57.06 -46.07 82.74 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.706 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -79.23 -45.78 19.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.29 7.99 10.8 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 72' ' ' GLU . 53.6 t0 48.35 34.43 4.65 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.627 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.481 ' O ' ' O ' ' A' ' 76' ' ' ASP . 64.3 m -47.51 -167.04 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.681 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.57 171.2 11.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.529 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -129.95 42.64 3.25 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.972 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.03 -26.32 67.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.734 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -114.85 141.3 48.1 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.209 0.528 . . . . 0.0 112.38 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -111.42 132.57 54.35 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.187 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.0 t -47.49 -54.05 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.815 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 42.6 p-10 -54.18 -45.14 72.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.479 -178.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.586 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 98.8 m-20 -59.8 -44.22 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.55 0.691 . . . . 0.0 109.852 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.554 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 11.5 mtp -63.69 -44.79 92.63 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.554 0.692 . . . . 0.0 110.42 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.1 -49.52 83.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.064 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.532 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 11.4 ptm180 -70.38 -45.34 66.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.908 0.385 . . . . 0.0 111.923 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.532 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 67.9 mt -62.2 -53.71 51.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.045 -178.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.02 22.38 12.4 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -161.47 91.78 1.46 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 113.79 -1.55 . . . . 0.0 109.43 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.58 -179.82 4.87 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.82 1.68 . . . . 0.0 111.264 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.505 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 95.8 m-20 -114.78 127.72 55.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.879 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 t -50.09 -33.27 18.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.461 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.427 ' HZ3' ' CB ' ' A' ' 93' ' ' ASP . 17.0 pttp -70.94 -40.82 71.82 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.791 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.635 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 2.5 p -65.28 -47.24 77.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.635 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 93.4 t -63.23 -44.79 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 18.1 t80 -60.27 -50.68 72.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.001 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.8 m -57.59 -45.16 85.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.006 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -61.25 -49.32 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.39 0.614 . . . . 0.0 110.119 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.2 mm -60.4 -40.94 85.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.899 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.75 -61.32 2.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.823 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -58.95 -46.65 87.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.685 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.5 tp -58.73 -47.24 85.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.678 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -52.35 -46.82 66.29 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.62 0.724 . . . . 0.0 109.63 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.65 -40.3 91.5 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.983 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.3 m -59.68 -40.39 87.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.041 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.0 mt -69.52 -35.44 75.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.39 -49.08 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -65.93 -43.39 88.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.615 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -58.11 -27.49 63.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.332 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.53 17.81 61.43 Favored Glycine 0 N--CA 1.463 0.49 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.8 mt -76.08 -40.48 53.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.452 -0.874 . . . . 0.0 110.904 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 CA--C 1.533 0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.98 -178.811 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ttt -60.14 -43.56 95.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.09 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.85 -42.92 99.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.02 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.518 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 56.9 tp -60.55 -45.87 92.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.019 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -59.24 -55.14 38.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.493 1.14 . . . . 0.0 109.779 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -51.19 -61.03 2.49 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.523 -2.126 . . . . 0.0 111.329 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 13.9 p -52.88 -44.3 66.76 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.236 0.541 . . . . 0.0 111.019 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.614 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 73.8 mtp85 -62.98 -41.89 99.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.483 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.3 -24.1 67.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.496 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.437 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.8 mpp? -111.42 -1.94 15.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.712 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 96.3 m -106.55 -8.32 17.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.14 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -63.25 -55.05 28.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.557 0.694 . . . . 0.0 109.457 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -46.38 -25.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.548 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.487 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 26.0 m-85 -93.87 97.27 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.601 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.649 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.01 -179.71 1.59 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 -179.528 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.607 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 28.6 t-80 61.45 -2.46 0.24 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.807 0.813 . . . . 0.0 108.851 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.649 ' H ' ' C ' ' A' ' 21' ' ' GLU . 99.9 t -126.66 130.58 71.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.932 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -144.43 109.03 4.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.655 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.4 mt -85.4 91.26 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.555 0.693 . . . . 0.0 112.575 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -102.24 -0.24 33.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.85 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.627 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.0 OUTLIER -171.5 -178.43 2.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.45 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.416 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 79.9 m-85 -105.53 -10.78 16.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.16 0.505 . . . . 0.0 110.566 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.3 p -99.45 -76.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.539 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 22.0 m -58.73 -39.62 81.41 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.842 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.626 ' N ' HD22 ' A' ' 27' ' ' ASN . 36.6 m -73.36 1.37 9.76 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.353 -178.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 36.5 m95 -114.62 -8.01 12.73 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.786 -179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 t -54.71 -40.97 69.76 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.066 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.504 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.1 m -63.2 -23.54 67.48 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.589 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 77.12 -9.4 26.09 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 -178.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.523 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 64.3 mtp -64.62 -27.33 68.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.634 -0.783 . . . . 0.0 110.118 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.38 59.14 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.427 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -44.41 83.97 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.104 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' SG ' ' CG ' ' A' ' 63' ' ' ASN . 11.0 m -66.18 -46.3 77.85 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.078 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.94 99.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.535 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.52 -43.06 95.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 0.0 111.005 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mm -65.68 -41.74 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.581 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.487 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 37.8 t-80 -54.24 -48.02 71.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.365 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -44.2 -33.33 1.51 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.185 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -95.69 -27.22 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.082 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -126.12 97.85 34.13 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.463 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.7 Cg_endo -75.68 -39.17 1.07 Allowed 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.926 1.751 . . . . 0.0 111.68 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.54 6.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.586 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -70.56 -73.08 0.18 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.847 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 15.1 p90 -166.63 160.31 14.92 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.67 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -83.26 97.94 9.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.15 -22.66 63.15 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.903 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.2 -16.87 51.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.44 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -86.14 -19.94 29.38 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.617 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.0 mt -83.1 153.75 24.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 0.0 111.136 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 58' ' ' ALA . 3.4 m-20 -127.03 145.03 52.5 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.16 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -52.21 -11.53 1.11 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.099 1.866 . . . . 0.0 109.829 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.23 -44.5 68.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.612 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -89.16 61.92 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.169 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -73.56 -42.73 61.27 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -53.21 -47.5 68.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.387 0.613 . . . . 0.0 110.268 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -68.69 -33.11 73.4 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.716 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.589 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 9.0 t30 -63.08 -41.59 99.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.513 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 36.6 m-85 -68.01 -54.76 16.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.419 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.0 m -55.92 -43.25 77.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.606 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.38 -48.95 79.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.173 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.2 76.83 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.007 -179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.438 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 46.4 m-85 -81.66 -52.73 6.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -60.02 -30.22 69.02 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.91 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.3 m -78.1 -46.86 19.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.285 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.41 73.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -72.22 -49.53 34.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.492 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -59.54 -40.18 86.39 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.408 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.3 mt -78.61 -46.04 20.21 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.28 7.49 7.8 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 72' ' ' GLU . 93.1 m-20 47.02 35.77 3.62 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.013 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 76' ' ' ASP . 95.6 m -48.66 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.577 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' A' ' 72' ' ' GLU . . . -84.54 170.27 13.61 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.411 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -129.8 42.82 3.23 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.83 -26.5 66.95 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.545 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.09 142.3 44.71 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 121.24 0.543 . . . . 0.0 112.143 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.513 ' N ' ' OD2' ' A' ' 85' ' ' ASP . 96.8 mt-10 -114.34 128.89 56.57 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.352 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -44.6 -53.01 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.431 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -53.71 -47.11 70.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.524 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -63.81 -42.68 97.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.016 0.436 . . . . 0.0 110.106 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.523 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 8.5 mtp -62.33 -46.02 90.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.571 0.701 . . . . 0.0 109.744 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.6 t -68.3 -42.08 84.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.043 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -71.34 -47.97 53.25 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.8 -50.53 64.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.29 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.423 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 63.07 24.84 14.68 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -177.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 62.9 t -163.5 89.19 1.2 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 113.807 -1.542 . . . . 0.0 109.584 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.04 -174.45 1.56 Allowed 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.925 1.75 . . . . 0.0 111.372 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.527 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 46.1 t0 -122.21 129.38 52.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.31 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 t -49.45 -30.58 8.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.062 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' A' ' 99' ' ' THR . 63.7 tttm -71.94 -40.51 68.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.559 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.653 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 6.1 p -66.1 -46.99 75.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.201 0.524 . . . . 0.0 110.602 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.653 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 71.3 t -65.92 -44.59 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 15.2 t80 -58.1 -51.03 71.38 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 17.6 m -58.07 -42.67 86.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.007 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -60.65 -50.71 72.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.39 0.614 . . . . 0.0 110.269 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.0 mm -61.86 -41.71 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.119 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -49.93 -63.81 1.0 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.941 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.44 -44.97 89.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.897 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.448 ' O ' ' OG ' ' A' ' 107' ' ' SER . 39.6 tp -59.56 -46.85 87.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.694 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -51.77 -46.26 64.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.613 0.721 . . . . 0.0 109.53 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.141 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 104' ' ' LEU . 94.5 p -59.94 -41.37 91.67 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.965 179.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.6 -40.53 95.14 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.687 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.75 -45.56 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.577 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.01 -50.91 70.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -59.32 -25.04 63.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.309 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.06 20.4 57.58 Favored Glycine 0 N--CA 1.463 0.441 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.0 mt -74.01 -42.3 60.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.303 -0.949 . . . . 0.0 111.108 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.478 -179.242 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.98 0.419 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -57.98 -46.53 85.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.45 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.44 -44.27 95.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.389 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.17 -48.5 78.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.686 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -57.02 -51.9 67.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.544 1.164 . . . . 0.0 109.928 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -59.12 -60.39 3.95 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.446 -2.161 . . . . 0.0 111.307 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 8.2 p -52.58 -42.94 64.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.12 0.486 . . . . 0.0 111.0 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.616 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 70.6 ttp85 -59.94 -47.26 86.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.997 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.92 -39.73 55.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.407 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.444 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 18.1 mmt -78.77 -27.77 44.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.757 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.64 -16.31 59.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.619 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 20' ' ' TYR . 79.9 ttt180 -59.81 -62.98 1.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.708 0.766 . . . . 0.0 109.386 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.561 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 48.9 p-10 -39.11 -24.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.138 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.66 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 26.1 m-85 -98.12 158.93 15.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.611 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.573 ' C ' ' H ' ' A' ' 23' ' ' VAL . 80.5 mm-40 -121.18 176.99 5.33 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.791 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER 58.92 3.76 0.35 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.573 ' H ' ' C ' ' A' ' 21' ' ' GLU . 49.6 t -122.28 130.72 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.751 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -145.9 106.01 4.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.876 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.2 mt -82.05 94.86 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 112.321 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -105.99 -22.73 12.82 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.169 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' A' ' 29' ' ' SER . 20.0 m120 -155.19 136.8 14.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.359 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.462 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 46.3 m-85 -62.06 -6.11 2.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.151 0.5 . . . . 0.0 110.532 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 27' ' ' ASN . 41.5 t -99.77 -76.29 0.55 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -58.04 -42.11 84.69 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.507 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.7 m -73.02 2.59 6.69 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.306 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.462 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.1 m95 -115.91 -9.72 11.76 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.801 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 p -58.34 -18.27 26.16 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.329 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.4 m -85.74 -23.66 27.23 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.727 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.541 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.41 -12.02 22.13 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 -178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.511 ' H ' ' C ' ' A' ' 34' ' ' SER . 41.2 mmm -61.76 -28.33 69.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.492 -0.854 . . . . 0.0 110.073 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -49.31 47.33 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.732 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -29.55 64.58 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.923 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 91.3 m -83.36 -45.12 14.1 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.309 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.1 99.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.668 -178.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.71 -42.33 97.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.03 0.443 . . . . 0.0 110.928 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mm -66.72 -40.97 87.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.397 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.66 ' HD1' ' HH ' ' A' ' 20' ' ' TYR . 31.7 t-80 -54.21 -49.92 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.371 -177.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.407 ' HG2' HD22 ' A' ' 19' ' ' ASN . 4.0 mmmt -43.92 -32.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.721 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.8 m-85 -95.07 -29.3 14.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.769 -178.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -123.99 99.63 37.69 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.457 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.52 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.9 Cg_endo -74.93 -38.68 1.52 Allowed 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 121.832 1.688 . . . . 0.0 111.811 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.2 2.75 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -62.08 -75.65 0.07 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.033 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 4.7 p90 -166.32 160.22 15.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.601 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -82.67 95.49 7.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 32.9 t80 -61.4 -19.82 62.36 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.938 0.399 . . . . 0.0 111.113 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.51 -14.77 57.97 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.804 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.47 -9.39 32.69 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.463 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -77.84 145.19 36.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.049 0.452 . . . . 0.0 111.004 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.41 169.2 7.43 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.212 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -74.04 -20.91 18.79 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.152 1.901 . . . . 0.0 110.32 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.78 74.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.231 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -77.6 44.5 0.45 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.238 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -65.83 -56.71 10.48 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 8.3 ptm180 -50.07 -46.35 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.193 0.521 . . . . 0.0 110.167 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.512 ' N ' ' CG ' ' A' ' 61' ' ' ARG . 86.6 m-70 -63.52 -31.75 73.0 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.605 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 25.1 t30 -62.32 -40.78 97.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.338 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.522 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 37.9 m-85 -68.76 -53.83 19.54 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.522 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 m -54.53 -42.18 70.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.4 tp -59.81 -48.55 81.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.028 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.89 79.33 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.984 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.53 -52.23 7.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.148 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.8 t -61.64 -29.1 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -79.27 -45.56 19.51 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.011 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.8 81.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.092 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 76' ' ' ASP . 98.2 mt-10 -74.17 -47.39 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.28 0.562 . . . . 0.0 110.759 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -59.04 -44.23 91.75 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.978 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.1 mt -80.55 -40.0 26.71 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.3 5.38 7.74 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.0 t0 47.44 33.42 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.878 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 76' ' ' ASP . 29.4 p -50.47 -164.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.607 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.03 167.61 16.7 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.157 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -135.44 38.74 2.89 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mt -69.98 -17.05 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.503 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.5 mt -110.06 144.78 38.15 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.263 0.554 . . . . 0.0 111.915 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.7 129.77 56.73 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.087 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 79.4 t -48.81 -53.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.584 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -54.82 -45.33 74.42 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.237 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -61.06 -44.93 96.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.098 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.522 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 10.2 mtp -62.85 -45.67 91.5 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.289 0.566 . . . . 0.0 110.263 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.25 -52.45 61.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.845 -1.071 . . . . 0.0 111.944 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.537 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 7.2 ptm180 -67.28 -44.76 78.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.785 0.326 . . . . 0.0 111.722 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.537 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 65.9 mt -62.17 -54.2 44.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.058 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 62.56 22.26 13.18 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.9 t -161.0 87.03 1.71 Allowed Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.506 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.52 -172.8 1.14 Allowed 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 121.847 1.698 . . . . 0.0 111.358 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -120.35 129.78 54.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.241 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.3 m -52.16 -31.63 32.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.966 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -71.2 -42.34 69.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.178 0.513 . . . . 0.0 110.058 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.4 m -63.49 -49.72 72.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.303 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 63.4 t -61.46 -43.9 97.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 14.3 t80 -57.7 -50.78 72.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.143 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.0 m -57.75 -43.69 85.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.903 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.52 -50.22 73.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.446 0.641 . . . . 0.0 110.231 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.97 -40.88 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.114 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.86 -60.49 3.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.863 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -59.56 -47.19 86.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.642 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.24 -46.04 89.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.906 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -51.42 -47.45 63.0 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.66 0.743 . . . . 0.0 109.711 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.1 mtp-105 -60.19 -38.74 84.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.134 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 t -61.15 -41.39 96.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.979 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.84 -36.37 82.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.39 -48.49 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.899 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -66.61 -47.7 71.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -55.81 -28.8 58.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.192 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.3 18.87 56.59 Favored Glycine 0 N--CA 1.465 0.57 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.6 mt -74.37 -42.38 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.464 -0.868 . . . . 0.0 110.866 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.102 -179.267 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.1 t30 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.4 tpt -52.72 -56.33 16.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.568 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.69 -44.32 90.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.23 -47.28 86.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.44 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.5 -50.3 73.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.594 1.188 . . . . 0.0 110.021 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -59.69 -61.85 2.31 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 112.574 -2.103 . . . . 0.0 111.588 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.46 ' O ' ' OG1' ' A' ' 17' ' ' THR . 2.6 m -52.27 -44.13 64.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.934 0.397 . . . . 0.0 111.081 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -57.59 -45.51 85.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.352 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.7 -41.56 61.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.203 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.8 mmt -84.21 -10.32 57.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.775 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 4.0 m -89.42 -17.41 28.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.027 0.442 . . . . 0.0 111.286 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -62.58 -55.16 29.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.574 0.702 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -51.28 -30.0 16.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.701 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.49 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 25.8 m-85 -89.15 149.85 22.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.717 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.561 ' C ' ' H ' ' A' ' 23' ' ' VAL . 98.9 mt-10 -119.7 173.65 6.89 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.669 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.616 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 43.4 t-80 63.06 0.81 0.77 Allowed 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.561 ' H ' ' C ' ' A' ' 21' ' ' GLU . 96.0 t -125.76 128.67 72.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.746 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 99.6 m-20 -140.71 108.56 5.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.6 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -84.71 88.87 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.561 0.696 . . . . 0.0 112.632 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.481 ' H ' ' HG ' ' A' ' 31' ' ' SER . 94.8 mt-30 -92.93 -24.87 18.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.121 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.605 ' H ' ' HG ' ' A' ' 31' ' ' SER . 27.5 m120 -147.84 -173.96 4.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.221 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.431 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 55.5 m-85 -105.59 -12.02 16.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.987 0.422 . . . . 0.0 110.469 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.2 m -104.04 -71.84 0.72 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 t -60.41 -42.88 96.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.517 -178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.605 ' HG ' ' H ' ' A' ' 27' ' ' ASN . 17.0 m -71.32 1.94 5.5 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.216 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.431 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 33.5 m95 -113.85 -6.1 13.23 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.538 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.1 p -62.52 -3.8 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.567 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.508 ' C ' ' H ' ' A' ' 36' ' ' MET . 9.0 t -90.94 -25.78 19.6 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.598 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.8 -15.08 16.08 Favored Glycine 0 CA--C 1.517 0.177 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 58.0 mtp -65.85 -32.25 73.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.64 -0.78 . . . . 0.0 110.091 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.34 -53.43 57.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.431 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -57.45 -44.95 85.16 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.041 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 63' ' ' ASN . 3.6 m -66.9 -45.59 77.49 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.4 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.33 98.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.372 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.3 tp -65.5 -42.51 92.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.933 0.397 . . . . 0.0 111.157 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.53 -43.07 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.569 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.49 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 48.7 t-80 -54.36 -47.28 72.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.069 0.461 . . . . 0.0 111.499 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -42.62 -34.96 0.97 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.337 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -99.25 -21.89 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 85.6 m-85 -127.64 64.42 63.61 Favored Pre-proline 0 C--O 1.215 -0.736 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.54 -38.54 16.46 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.844 1.696 . . . . 0.0 111.74 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.29 -28.49 66.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' PHE . . . -34.37 -72.63 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.709 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -167.69 162.33 13.94 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.53 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -80.82 89.62 5.83 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -52.68 -23.39 6.55 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.038 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.94 -17.4 50.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -88.54 -17.98 29.1 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -80.63 151.86 28.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.056 0.455 . . . . 0.0 111.533 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -119.46 162.86 30.19 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.194 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -73.94 -18.34 21.66 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.097 1.865 . . . . 0.0 110.585 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.03 92.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.385 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -91.38 51.3 1.88 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.092 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -65.06 -42.23 94.4 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -52.83 -52.87 55.44 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.55 0.69 . . . . 0.0 110.618 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -60.61 -32.49 71.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.229 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.464 ' CG ' ' SG ' ' A' ' 39' ' ' CYS . 4.0 t-20 -63.62 -40.54 97.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.034 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.3 m-85 -65.28 -57.87 7.37 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.033 -0.667 . . . . 0.0 109.358 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.6 m -53.49 -43.49 68.26 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.748 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.86 -48.16 82.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.078 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.12 90.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.047 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.55 -46.72 21.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.945 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.7 p -66.36 -26.32 67.22 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.803 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -76.61 -48.95 17.5 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.443 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -63.38 -33.8 76.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.955 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 76' ' ' ASP . 81.0 tt0 -71.6 -50.8 27.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.962 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -61.97 -40.84 96.96 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.915 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.5 mt -85.28 -40.15 16.91 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -119.91 -0.87 10.55 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' GLU . 58.2 t0 49.96 28.99 3.14 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 119.571 -0.852 . . . . 0.0 109.784 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.451 ' O ' ' O ' ' A' ' 76' ' ' ASP . 14.3 p -49.72 -165.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.743 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.88 169.93 12.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -133.92 38.2 3.2 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.002 0.429 . . . . 0.0 109.866 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.24 -19.89 66.17 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.359 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.16 143.59 42.95 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.348 0.594 . . . . 0.0 112.039 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 95.8 mt-10 -114.29 134.09 55.2 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.466 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.0 t -51.59 -53.25 17.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.563 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -52.25 -45.02 65.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.443 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.6 OUTLIER -64.94 -41.47 95.48 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.19 0.519 . . . . 0.0 110.554 -179.646 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.509 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.0 mtp -61.94 -45.45 93.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.69 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.57 -44.33 93.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.024 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -71.46 -48.8 47.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.8 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.58 -52.47 60.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.138 0.494 . . . . 0.0 110.541 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.422 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 59.11 26.58 15.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -177.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 73.5 t -163.34 87.52 1.27 Allowed Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.833 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -72.41 -170.91 0.63 Allowed 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 121.908 1.738 . . . . 0.0 111.348 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.502 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 57.5 t0 -126.23 130.16 50.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.946 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.8 p -47.02 -30.24 2.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.532 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.449 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -75.8 -34.77 60.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.48 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.618 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 4.9 p -68.16 -47.86 66.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.905 0.383 . . . . 0.0 110.597 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.618 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 97.2 t -67.13 -43.86 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.228 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 20.5 t80 -59.95 -51.09 71.17 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.088 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 31.0 m -58.69 -43.06 89.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.165 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -62.01 -50.63 71.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.264 0.554 . . . . 0.0 110.204 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.5 mm -61.59 -40.82 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.143 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -50.17 -62.26 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.81 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -57.55 -43.83 84.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.693 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.08 -45.38 94.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -53.97 -47.78 71.02 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.482 0.658 . . . . 0.0 109.696 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -60.4 -43.51 96.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.867 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -58.48 -40.94 84.13 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.772 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.64 -39.11 93.52 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.577 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.87 -46.46 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.416 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.67 -47.93 79.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -60.73 -22.57 64.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.85 19.86 72.02 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.03 -43.27 54.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.431 -0.885 . . . . 0.0 111.233 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 67.5 t . . . . . 0 CA--C 1.532 0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -177.806 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 121.031 0.443 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.7 ttt -58.76 -45.88 88.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.197 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.77 -47.64 85.38 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.136 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.85 -44.54 94.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -59.99 -55.47 33.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.713 1.244 . . . . 0.0 109.954 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -51.52 -61.98 1.91 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 112.501 -2.136 . . . . 0.0 111.354 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' O ' ' OG1' ' A' ' 17' ' ' THR . 1.4 t -53.28 -44.66 68.43 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.306 0.574 . . . . 0.0 111.22 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -60.62 -35.75 76.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.529 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -17.52 59.17 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.415 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 ptp -120.87 -3.28 9.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.643 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 14.1 m -88.54 -13.36 40.34 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.252 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -65.53 -40.72 93.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.677 0.751 . . . . 0.0 109.624 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.628 ' ND2' ' HZ3' ' A' ' 44' ' ' LYS . 72.3 m-20 -57.99 -34.45 70.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.037 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.528 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 69.8 m-85 -93.46 152.39 19.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.796 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 23' ' ' VAL . 94.7 mt-10 -117.82 173.41 6.77 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.666 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.628 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 47.0 t-80 64.31 6.67 3.13 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 122.062 0.935 . . . . 0.0 108.805 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' GLU . 63.9 t -126.14 127.96 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.186 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -140.67 108.56 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.778 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.02 89.0 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.475 0.655 . . . . 0.0 112.483 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.48 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 75.4 mt-30 -99.1 -26.03 14.35 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.102 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 26' ' ' GLN . 12.5 m120 -149.64 -174.91 4.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.354 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.405 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 89.1 m-85 -104.99 -11.51 16.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.218 0.533 . . . . 0.0 110.422 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.9 p -105.41 -72.64 0.7 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.979 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -60.65 -44.04 96.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.333 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -70.17 -0.72 8.35 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.918 -178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.464 ' C ' ' H ' ' A' ' 34' ' ' SER . 29.7 m95 -112.47 -4.16 14.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.016 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -62.24 0.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.214 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.54 ' C ' ' H ' ' A' ' 36' ' ' MET . 59.8 p -96.52 -25.04 15.78 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.701 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.69 -13.95 11.18 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 -178.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.54 ' H ' ' C ' ' A' ' 34' ' ' SER . 3.0 mmt -64.7 -27.47 68.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.553 -0.823 . . . . 0.0 110.305 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 -51.93 62.05 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.766 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -58.27 -45.68 87.42 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.099 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.541 ' HG ' ' CG ' ' A' ' 63' ' ' ASN . 4.5 m -66.53 -47.06 74.11 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.264 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.485 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -61.64 -41.92 98.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.323 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.31 -43.4 94.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 110.886 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mm -67.21 -43.92 88.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.718 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.528 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 46.1 t-80 -57.95 -10.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.547 -178.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.628 ' HZ3' ' ND2' ' A' ' 19' ' ' ASN . 46.6 tptt -71.65 -39.22 70.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.802 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -104.97 -9.64 17.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.83 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -129.3 94.59 32.81 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.557 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -75.71 -36.11 2.32 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.924 1.749 . . . . 0.0 111.518 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -69.37 -1.49 8.44 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -61.32 -75.85 0.06 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.894 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.1 p90 -167.19 160.97 14.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.668 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -83.62 93.34 7.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.84 -21.66 61.23 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.928 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.77 -8.62 59.73 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -101.67 -14.99 17.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.435 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.26 150.4 40.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 110.98 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.02 164.63 16.17 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.06 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.24 -24.35 14.62 Favored 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 122.161 1.907 . . . . 0.0 110.068 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.5 85.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.366 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -80.67 51.47 1.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.579 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -72.12 -44.93 62.41 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -53.26 -46.39 69.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.304 0.573 . . . . 0.0 109.984 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -66.79 -33.25 75.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.541 ' CG ' ' HG ' ' A' ' 39' ' ' CYS . 17.1 t-20 -62.49 -41.34 98.74 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.052 0.453 . . . . 0.0 110.475 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.447 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 48.2 m-85 -69.05 -53.4 20.59 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.736 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 m -56.6 -43.14 79.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.01 -47.77 84.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.096 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.34 78.93 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.94 -0.704 . . . . 0.0 109.969 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 42.2 m-85 -82.38 -51.4 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.975 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.4 p -60.64 -29.86 69.51 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.79 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.7 m -76.64 -49.34 16.44 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.366 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.7 -29.67 70.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 76' ' ' ASP . 44.2 tt0 -70.28 -52.47 22.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.081 0.467 . . . . 0.0 110.53 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -61.69 -37.03 82.64 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.866 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.7 mt -80.35 -44.81 18.82 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.2 5.54 7.1 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.6 t0 47.1 33.9 2.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.898 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.1 t -48.83 -165.74 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.599 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.02 169.95 13.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.362 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.414 ' NE2' ' OE2' ' A' ' 72' ' ' GLU . 74.4 mt-30 -131.86 42.18 3.19 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.11 -23.53 64.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.399 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -110.46 141.98 42.83 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 121.181 0.515 . . . . 0.0 112.09 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.52 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 68.4 mm-40 -115.07 128.84 56.49 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.547 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.2 t -44.21 -53.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.444 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -53.88 -47.67 70.84 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.331 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -62.68 -43.43 98.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 110.315 -179.529 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.522 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 6.9 mtp -61.96 -45.58 93.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.6 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.24 -41.64 84.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.9 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -71.96 -48.76 42.87 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.729 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.52 -49.61 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.263 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 56.48 29.22 14.99 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 92' ' ' PRO . 73.4 t -161.01 60.91 1.34 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 113.785 -1.552 . . . . 0.0 109.893 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.502 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.4 Cg_endo -44.99 -179.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 121.965 1.777 . . . . 0.0 111.41 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -118.51 130.61 56.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.317 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 m -49.44 -33.4 14.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.038 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.464 ' O ' ' OG1' ' A' ' 99' ' ' THR . 25.8 ttpp -73.44 -36.69 65.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.55 179.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.4 m -66.43 -51.88 52.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.64 -43.47 94.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 28.6 t80 -60.09 -50.83 72.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.966 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 18.7 m -58.07 -43.27 86.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.029 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -63.0 -51.07 68.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.492 0.663 . . . . 0.0 110.171 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.0 mm -60.26 -40.2 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.961 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -52.68 -59.43 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.653 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.31 -45.6 90.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.551 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.01 -46.35 88.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.621 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -53.26 -47.66 68.9 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.76 0.791 . . . . 0.0 109.687 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -61.24 -43.02 99.55 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.235 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.5 m -58.63 -40.97 84.88 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.089 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.14 -40.11 94.84 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.973 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.95 -45.5 98.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -62.23 -50.4 71.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.3 -17.05 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.235 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.9 20.79 77.51 Favored Glycine 0 N--CA 1.464 0.537 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.8 mt -72.88 -43.4 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.381 -0.91 . . . . 0.0 111.024 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 CA--C 1.535 0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.402 -179.462 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.4 t30 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 121.032 0.444 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 tpt -56.42 -48.78 76.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.198 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.76 -43.38 93.49 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.482 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.8 -46.81 87.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.454 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -59.31 -51.14 71.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.525 1.155 . . . . 0.0 109.989 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -57.62 -60.9 2.98 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.382 -2.19 . . . . 0.0 111.241 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' THR . 6.9 m -54.25 -45.24 72.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.123 0.487 . . . . 0.0 110.798 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.586 HH12 ' CZ ' ' A' ' 18' ' ' ARG . 69.3 ttp85 -61.92 -51.07 69.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.694 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.27 26.91 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.289 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.9 mtm -112.69 -3.6 14.23 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.652 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' CYS . 95.3 m -113.98 -6.7 13.15 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.586 ' CZ ' HH12 ' A' ' 14' ' ' ARG . 38.5 ttm180 -63.69 -59.9 3.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -45.05 -20.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.644 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.557 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 12.2 m-85 -90.27 104.24 16.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.816 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.643 ' C ' ' H ' ' A' ' 23' ' ' VAL . 80.3 mm-40 -72.17 178.7 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.769 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.552 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 26.2 t-80 63.59 -4.43 0.33 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.643 ' H ' ' C ' ' A' ' 21' ' ' GLU . 58.4 t -128.6 129.86 68.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.939 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -143.44 108.89 5.06 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.642 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 mt -76.52 97.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -109.59 -12.05 14.71 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.754 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 22.2 t-20 -170.17 -178.13 2.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.348 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.52 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 64.0 m-85 -99.74 -9.76 22.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.136 0.493 . . . . 0.0 110.344 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 t -107.77 -69.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.557 ' HG ' ' N ' ' A' ' 31' ' ' SER . 77.6 p -58.39 -45.57 88.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.069 -177.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.557 ' N ' ' HG ' ' A' ' 30' ' ' SER . 4.9 t -72.31 1.26 8.09 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.973 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.402 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 32.8 m95 -113.54 -8.58 13.33 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.699 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -54.84 -23.3 17.77 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.666 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 36' ' ' MET . 79.5 p -77.89 -21.08 51.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 75.87 -8.92 19.53 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 -178.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.506 ' H ' ' C ' ' A' ' 34' ' ' SER . 4.8 mmt -65.28 -29.19 69.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.517 -0.842 . . . . 0.0 110.458 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -52.32 65.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.409 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CZ ' ' CD1' ' A' ' 81' ' ' LEU . 27.4 m-85 -57.06 -44.09 82.69 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.972 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.47 ' SG ' ' CG ' ' A' ' 63' ' ' ASN . 3.5 m -71.03 -44.63 65.44 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.46 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.75 95.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.484 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.32 -42.75 99.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.594 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.0 mm -67.76 -42.78 86.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.355 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.557 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 29.9 t-80 -57.41 -13.7 3.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.28 -178.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -74.58 -39.27 62.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.802 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.84 -19.35 18.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.71 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -126.24 99.07 31.55 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.476 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -75.06 -37.84 1.82 Allowed 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.929 1.753 . . . . 0.0 111.763 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.65 -7.26 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -52.5 -76.36 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.955 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.509 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 7.3 p90 -168.26 162.11 12.54 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.663 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.87 90.15 6.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -58.61 -21.03 52.33 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.06 -13.48 59.27 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.452 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -93.4 -15.39 25.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.38 150.78 36.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.61 170.05 8.68 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.165 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -75.05 -11.79 21.4 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.275 1.983 . . . . 0.0 110.171 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.82 -8.38 58.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.931 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -112.15 49.77 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.264 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.4 mtm-85 -69.99 -51.42 32.63 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -52.42 -45.04 65.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.335 0.588 . . . . 0.0 110.25 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -66.69 -36.17 81.89 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.47 ' CG ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 t-20 -62.45 -42.75 99.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.455 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.1 m-85 -67.43 -54.26 21.87 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.81 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.0 m -56.37 -44.41 80.14 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.371 -0.532 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 70' ' ' THR . 58.2 tp -61.34 -46.01 92.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.236 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.74 89.31 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.138 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 40.2 m-85 -80.39 -48.08 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.985 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -61.93 -29.09 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.009 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 28.8 m -79.03 -45.93 19.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.254 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.77 81.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.006 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 76' ' ' ASP . 95.7 mt-10 -72.18 -47.36 51.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.245 0.545 . . . . 0.0 110.841 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.76 -41.98 98.38 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.838 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.1 mt -78.37 -40.21 36.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.19 7.73 5.05 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 72' ' ' GLU . 89.0 m-20 45.6 38.96 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.015 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.476 ' O ' ' O ' ' A' ' 76' ' ' ASP . 15.1 p -47.72 -166.39 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.648 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.15 169.8 13.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.443 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -126.15 68.98 1.2 Allowed 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mt -101.94 -22.6 14.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.399 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.414 ' CD1' ' CZ ' ' A' ' 38' ' ' PHE . 22.2 mt -113.49 137.05 52.1 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.181 0.515 . . . . 0.0 112.024 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.65 128.54 56.42 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.064 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -47.76 -52.43 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.865 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -54.61 -45.92 73.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.399 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.22 -42.94 99.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.996 0.427 . . . . 0.0 110.391 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.455 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.6 mtp -61.47 -42.53 98.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.501 0.667 . . . . 0.0 110.082 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.22 -43.81 98.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.213 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -73.28 -47.82 39.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.793 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.6 mt -53.02 -62.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 71.63 17.8 5.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 -177.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 55.1 t -163.77 91.98 1.1 Allowed Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.31 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -70.73 176.37 7.59 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.88 1.72 . . . . 0.0 111.747 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 97.1 m-20 -113.68 128.5 56.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.192 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.3 m -50.35 -33.9 22.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.221 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' A' ' 99' ' ' THR . 16.3 tptm -68.29 -42.39 79.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.827 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 1.7 p -65.41 -46.92 78.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.604 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.642 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 94.5 t -62.86 -45.14 99.6 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 19.1 t80 -61.1 -51.21 70.08 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.165 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 18.8 m -57.86 -42.66 84.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.854 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.09 -50.22 74.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.448 0.642 . . . . 0.0 110.159 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.9 mm -61.02 -41.04 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -51.96 -60.86 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.752 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 99' ' ' THR . 4.7 mp0 -58.67 -45.42 89.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.753 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.447 ' O ' ' OG ' ' A' ' 107' ' ' SER . 56.0 tp -59.74 -45.35 92.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.772 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -53.02 -46.88 68.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.784 0.802 . . . . 0.0 109.412 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.13 -42.48 98.62 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.866 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 104' ' ' LEU . 97.3 p -60.2 -36.92 78.74 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.938 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.22 -41.37 97.06 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.118 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.75 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -53.53 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -55.3 -19.22 7.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.241 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.23 20.69 71.96 Favored Glycine 0 N--CA 1.462 0.375 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.77 -46.79 28.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.375 -0.912 . . . . 0.0 111.143 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.819 -179.463 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.5 m120 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.4 tpt -60.71 -48.41 81.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.397 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.7 -40.57 92.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.283 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.464 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 39.8 tp -62.47 -49.36 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.808 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.0 -54.28 48.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.637 1.208 . . . . 0.0 110.245 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -53.73 -60.98 2.61 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.323 -2.217 . . . . 0.0 111.566 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.599 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 15.6 p -53.97 -44.49 70.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.028 0.442 . . . . 0.0 111.14 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.599 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 58.8 ttt85 -60.38 -52.01 67.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.633 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.27 -18.6 0.99 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.508 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.4 mtm -113.9 -0.78 14.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.911 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -103.66 -10.03 18.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.083 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -65.86 -50.58 64.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.514 0.673 . . . . 0.0 109.754 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -48.03 -27.53 2.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.696 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -87.96 150.66 23.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.659 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 22' ' ' HIS . 28.1 tt0 -114.77 167.92 10.35 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.73 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.608 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 50.1 t-80 66.17 4.06 2.96 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 21' ' ' GLU . 99.0 t -126.09 128.39 71.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.18 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OG ' ' A' ' 31' ' ' SER . 66.6 t0 -143.19 108.19 4.94 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.6 mt -79.98 98.04 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -112.34 -6.48 14.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.002 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.635 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.0 OUTLIER -177.4 137.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.455 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.486 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 62.7 m-85 -60.5 -7.71 2.3 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.286 0.565 . . . . 0.0 110.672 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.443 ' H ' ' C ' ' A' ' 27' ' ' ASN . 60.5 p -97.39 -77.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -58.27 -41.73 84.95 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.472 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 43.0 t -73.57 3.78 5.78 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.697 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.486 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 37.4 m95 -115.25 -9.53 12.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.681 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.0 m -54.28 -38.8 66.28 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.264 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -65.67 -23.81 66.87 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 81.36 -7.42 61.01 Favored Glycine 0 N--CA 1.458 0.143 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.431 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 15.3 mmm -61.57 -29.1 69.8 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.609 -0.795 . . . . 0.0 110.537 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.81 -50.98 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.751 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -57.87 -43.34 85.93 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.134 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.627 ' HG ' ' N ' ' A' ' 40' ' ' ALA . 16.1 p -70.98 -45.9 63.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.031 0.443 . . . . 0.0 111.333 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.627 ' N ' ' HG ' ' A' ' 39' ' ' CYS . . . -61.95 -43.6 98.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.755 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.78 -41.89 95.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.016 0.436 . . . . 0.0 111.029 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.406 HG22 HD12 ' A' ' 42' ' ' ILE . 9.4 mm -64.94 -40.06 87.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.487 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -54.87 -48.44 72.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.554 -177.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -33.31 1.54 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.702 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -95.38 -27.03 15.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.791 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -126.93 99.87 28.38 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.485 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.41 -35.33 3.86 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.798 1.665 . . . . 0.0 111.757 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.96 -16.41 63.85 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.29 -73.68 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.264 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -169.93 164.52 9.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.667 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -86.47 105.44 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -63.64 -19.08 64.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.61 -22.6 34.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.671 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -85.11 -16.53 40.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.1 mt -82.96 149.26 27.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.037 0.446 . . . . 0.0 111.128 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.75 165.72 19.08 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.238 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.15 -12.88 21.22 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.189 1.926 . . . . 0.0 110.181 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.15 -9.01 59.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.17 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -113.23 55.16 0.71 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.088 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.406 HH11 ' HG3' ' A' ' 60' ' ' ARG . 85.1 mtm-85 -70.5 -47.86 58.45 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -54.62 -47.81 72.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.294 0.568 . . . . 0.0 110.473 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -65.08 -35.01 79.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 9.9 t-20 -63.55 -43.55 96.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 47.9 m-85 -65.07 -54.56 28.15 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.67 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -56.32 -43.45 79.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.7 tp -62.24 -45.94 91.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.131 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.17 96.28 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.043 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -78.63 -52.08 8.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.944 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.5 p -59.75 -27.18 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.7 m -78.8 -45.03 21.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.28 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.68 78.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.004 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' A' ' 76' ' ' ASP . 96.8 mt-10 -71.34 -52.01 21.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.088 0.471 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -60.04 -40.05 88.05 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.005 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -83.95 -36.35 23.33 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HA ' ' HZ1' ' A' ' 111' ' ' LYS . . . -128.23 2.29 5.77 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -177.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 72' ' ' GLU . 91.4 m-20 47.86 37.81 7.94 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.0 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 76' ' ' ASP . 20.1 p -47.36 -168.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.652 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.9 171.29 12.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.342 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -123.99 56.58 1.24 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.89 -25.28 19.91 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.641 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -118.36 137.5 53.06 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.142 0.496 . . . . 0.0 112.005 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -109.58 143.91 38.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.192 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.8 t -57.59 -52.7 54.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.677 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -55.88 -45.98 78.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.178 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -62.29 -45.04 95.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.016 0.436 . . . . 0.0 110.303 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.444 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.7 mtp -60.98 -42.27 98.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.708 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.3 t -66.75 -45.37 88.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.206 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.85 -48.07 64.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.904 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.9 mt -62.5 -53.85 48.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.085 0.469 . . . . 0.0 110.461 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.403 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 61.27 24.77 14.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 52.9 t -162.51 90.12 1.33 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 113.791 -1.55 . . . . 0.0 109.535 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -73.09 -175.16 1.82 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.956 1.771 . . . . 0.0 111.353 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -119.21 131.29 55.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.319 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.5 p -48.37 -32.42 7.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.883 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -76.76 -32.65 57.87 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.381 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -67.61 -52.28 40.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.481 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.35 -43.85 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 18.9 t80 -59.41 -51.48 69.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.071 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.1 m -58.73 -44.25 90.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.807 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -61.01 -50.39 73.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.45 0.643 . . . . 0.0 109.957 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.2 mm -60.61 -39.69 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.897 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -52.49 -59.49 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.84 -45.88 91.04 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.627 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 41.1 tp -61.06 -44.29 97.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.785 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 90.0 t80 -54.42 -48.25 71.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.629 0.728 . . . . 0.0 109.741 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.8 mtp-105 -60.57 -42.9 97.59 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.023 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.6 m -57.96 -41.1 82.18 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.868 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.27 -41.11 98.18 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.12 -46.57 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.759 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.56 -48.23 81.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.406 ' HZ1' ' HA ' ' A' ' 75' ' ' ALA . 97.9 mttt -63.9 -14.57 54.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.43 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.08 21.89 79.0 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.5 mt -72.35 -46.27 56.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.459 -0.87 . . . . 0.0 110.961 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.465 0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.313 -179.327 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 . . . . . 0 N--CA 1.455 -0.194 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -61.08 -43.76 98.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.3 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.78 -45.01 91.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.74 -45.84 92.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.11 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.24 -53.04 62.37 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 122.485 1.136 . . . . 0.0 109.8 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -54.17 -59.23 4.94 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 112.749 -2.023 . . . . 0.0 111.283 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' THR . 10.0 t -55.75 -40.59 72.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.114 0.483 . . . . 0.0 110.972 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -61.36 -45.13 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.551 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -28.38 61.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.848 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.67 -7.67 13.83 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.837 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' CYS . 52.2 m -99.46 -11.34 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.634 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -69.54 -46.08 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 109.105 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 47.0 p-10 -48.12 -25.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.949 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 59.3 m-85 -96.34 104.48 16.45 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.562 ' C ' ' H ' ' A' ' 23' ' ' VAL . 13.9 pt-20 -66.63 179.6 1.02 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.321 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.58 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 45.8 t-80 62.17 -0.23 0.5 Allowed 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.562 ' H ' ' C ' ' A' ' 21' ' ' GLU . 49.0 t -128.29 129.17 69.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.012 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -144.85 109.48 4.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.536 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.9 mt -72.93 101.46 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -105.44 -33.3 8.19 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.048 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -158.98 144.34 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.896 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.454 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 43.9 m-85 -61.44 -8.17 3.83 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.832 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -99.09 -76.82 0.53 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.6 p -60.99 -37.67 83.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.429 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -72.94 -0.11 12.74 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.075 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.454 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 37.6 m95 -115.54 -8.62 12.13 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.374 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 t -58.5 -17.2 19.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.434 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 36' ' ' MET . 54.2 p -86.03 -21.6 27.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.542 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.9 -11.51 27.63 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.457 ' H ' ' C ' ' A' ' 34' ' ' SER . 24.4 mmm -61.99 -32.6 73.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.691 -0.755 . . . . 0.0 110.214 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.23 -51.7 62.38 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.853 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.47 -45.31 84.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.722 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 14.9 p -69.71 -45.04 69.13 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.632 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.573 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.34 -42.15 99.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 tp -64.04 -42.54 97.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.743 0.306 . . . . 0.0 110.97 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.2 mm -65.16 -42.9 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.602 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 39.9 t-80 -57.03 -41.02 77.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -37.93 29.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.853 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -88.97 -26.83 21.29 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -128.66 97.28 27.88 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.55 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.6 Cg_endo -75.06 -38.9 1.36 Allowed 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.074 1.849 . . . . 0.0 112.05 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -66.78 -0.87 3.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.515 0.674 . . . . 0.0 109.378 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -64.12 -64.82 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.306 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.485 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 13.1 p90 -171.38 163.12 6.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.026 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -86.62 94.04 9.36 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -56.67 -23.21 40.11 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.92 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.31 -17.01 53.31 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.22 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -86.19 -18.0 33.36 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.073 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.9 -173.48 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.998 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.33 164.93 19.7 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.73 -13.12 20.03 Favored 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 121.648 1.565 . . . . 0.0 109.961 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.82 -9.0 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.387 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -116.05 45.2 1.79 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.106 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -64.88 -47.03 79.33 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -52.33 -46.42 66.05 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.314 0.578 . . . . 0.0 110.055 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -67.55 -34.58 77.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.233 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 49.0 t30 -61.42 -42.67 99.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.978 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 55.5 m-85 -66.83 -55.71 13.64 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.534 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.3 m -53.83 -42.55 68.59 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.457 ' O ' ' OG1' ' A' ' 70' ' ' THR . 65.5 tp -60.95 -48.83 80.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.58 81.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.294 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -79.21 -46.74 17.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.0 t -63.34 -29.73 70.99 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.046 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 21.2 m -76.25 -47.69 22.93 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.25 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.7 -34.91 78.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.9 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 93.1 mt-10 -71.78 -49.71 36.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 111.002 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.83 -41.11 95.14 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.961 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.8 mt -79.93 -43.69 21.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.45 8.31 7.74 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 29.3 t0 45.99 40.14 6.57 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.675 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.9 t -50.95 -164.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.539 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.58 170.77 10.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.487 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -128.32 41.33 3.51 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.759 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.34 -26.68 66.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.525 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mt -117.27 140.77 49.13 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.276 0.56 . . . . 0.0 111.828 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -108.72 142.77 38.75 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.255 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.06 -52.03 65.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.644 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 4.1 p-10 -55.05 -46.3 75.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.056 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.64 -43.25 99.2 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.636 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.509 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.6 mtp -62.63 -41.63 99.13 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.4 -43.21 87.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.74 -46.54 52.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.731 0.301 . . . . 0.0 111.522 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.65 -52.15 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.457 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.401 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 59.09 24.5 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -177.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 70.2 t -162.13 88.68 1.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 113.767 -1.56 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.46 -167.36 0.33 Allowed 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.821 1.681 . . . . 0.0 111.327 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -128.05 132.84 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.091 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.4 t -49.46 -32.03 11.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.907 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -77.91 -32.66 51.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.78 0.324 . . . . 0.0 110.533 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.5 m -68.01 -52.69 32.74 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.312 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.62 -43.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 19.0 t80 -57.86 -50.7 72.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.281 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.9 m -58.23 -44.39 88.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.893 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.61 -49.64 74.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.289 0.566 . . . . 0.0 109.935 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' TYR . 8.7 mm -60.32 -41.01 85.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.892 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.56 -62.29 1.68 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.305 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -57.88 -46.97 84.09 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.22 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.37 -45.36 93.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.69 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 101' ' ' ILE . 51.7 t80 -54.34 -49.24 70.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.495 0.664 . . . . 0.0 109.832 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -58.49 -43.89 89.2 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.878 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.6 m -57.31 -39.36 75.62 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.826 0.346 . . . . 0.0 110.293 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.65 -41.41 98.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.29 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.79 -46.1 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.93 -49.09 76.15 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.346 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.19 -18.02 56.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.174 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.77 20.83 75.76 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 40.3 mt -74.38 -44.38 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.979 0.419 . . . . 0.0 110.945 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.467 0.414 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.158 -179.373 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.465 ' N ' HD21 ' A' ' 7' ' ' ASN . 1.2 m120 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 tpt -61.92 -47.24 85.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.06 -40.94 87.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.34 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.19 -48.22 82.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.551 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.93 -52.26 66.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.555 1.169 . . . . 0.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.402 ' O ' ' CE ' ' A' ' 16' ' ' MET . 78.9 t90 -55.49 -59.98 4.06 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 112.472 -2.149 . . . . 0.0 111.533 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -54.61 -45.9 73.76 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.985 0.422 . . . . 0.0 110.706 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -58.92 -46.98 86.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.478 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -27.49 62.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.511 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.483 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.7 mpp? -104.25 0.4 29.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.733 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.5 m -103.43 -7.94 20.56 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.324 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 13.1 ptm180 -68.19 -42.53 79.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.622 0.725 . . . . 0.0 109.251 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.48 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 90.6 m-20 -52.68 -30.88 34.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.448 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.613 ' HH ' ' N ' ' A' ' 44' ' ' LYS . 81.8 m-85 -89.62 153.12 20.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.694 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 54.6 mp0 -116.94 169.81 9.11 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.476 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.649 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 32.2 t-80 64.67 3.91 2.15 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 21' ' ' GLU . 85.9 t -123.1 126.82 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.248 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' O ' ' OG ' ' A' ' 31' ' ' SER . 38.3 t70 -139.96 105.75 5.16 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.659 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.2 mt -85.65 89.89 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -104.94 1.24 28.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.862 178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 28' ' ' PHE . 13.4 t-20 -170.08 179.29 3.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.246 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.424 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 54.5 m-85 -104.43 -10.43 17.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.949 0.404 . . . . 0.0 110.452 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 30' ' ' SER . 95.6 p -102.41 -69.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' ' OG ' ' A' ' 29' ' ' SER . 36.8 t -59.3 -40.9 87.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.645 -177.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 19.3 m -75.91 4.41 8.25 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.439 -178.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -116.66 -11.24 11.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.748 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.437 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 67.3 m -55.5 -36.82 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.2 -178.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' A' ' 34' ' ' SER . 1.5 m -69.54 -25.95 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 82.5 -8.56 61.42 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 108.756 -1.737 . . . . 0.0 108.756 -177.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.9 mmm -60.72 -29.86 69.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.609 -0.796 . . . . 0.0 110.269 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.71 -50.43 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.917 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.58 -43.74 84.81 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.26 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 19.4 p -72.89 -45.52 57.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 111.224 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.59 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.43 -42.72 99.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.634 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.61 -45.25 93.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 44' ' ' LYS . 4.3 mm -65.61 -42.92 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.746 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.419 ' C ' ' OH ' ' A' ' 20' ' ' TYR . 42.4 t-80 -57.51 -8.55 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.613 ' N ' ' HH ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -78.6 -37.41 42.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.536 -179.113 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -98.95 -17.7 18.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.255 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -126.58 98.63 31.36 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.35 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.506 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -74.77 -37.57 2.13 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.844 1.696 . . . . 0.0 111.835 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.13 -0.07 5.41 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -60.12 -77.49 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.537 -1.211 . . . . 0.0 111.956 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.413 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.1 p90 -166.65 159.96 14.57 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.545 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -81.81 92.6 6.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -56.08 -22.04 25.56 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.0 -22.79 36.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -81.05 -22.67 39.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -81.07 153.84 27.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.046 0.45 . . . . 0.0 111.22 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.12 169.11 9.51 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.291 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.32 -14.87 20.33 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.171 1.914 . . . . 0.0 110.176 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.14 -43.5 78.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.272 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -84.55 69.48 10.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.365 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 33' ' ' SER . 81.3 mtp180 -75.83 -51.21 13.07 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -50.67 -46.76 58.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.783 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -67.03 -36.57 82.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.731 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 18.2 t-20 -61.89 -43.83 98.04 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.048 0.451 . . . . 0.0 110.662 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.487 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 45.6 m-85 -68.92 -54.08 17.48 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.788 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.5 m -52.72 -43.15 65.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.81 -47.77 84.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.987 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -37.87 84.47 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.04 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -78.81 -53.05 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -60.94 -27.89 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.9 m -77.8 -45.33 24.79 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.265 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.71 78.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.972 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 96.6 mt-10 -73.8 -50.64 19.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.159 0.504 . . . . 0.0 111.002 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -58.74 -43.15 90.17 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.001 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.73 -45.98 23.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.69 7.19 9.42 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 61.8 t0 45.77 38.78 4.57 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.865 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.25 -163.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.509 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.63 170.64 12.35 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.353 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -138.75 41.03 2.17 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.068 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 mt -65.63 -19.23 65.83 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.224 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mt -113.36 146.74 38.97 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.204 0.526 . . . . 0.0 112.174 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -114.53 141.77 47.28 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.161 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.1 t -56.3 -52.43 51.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.274 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -55.22 -46.28 75.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.037 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.13 -44.6 95.14 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.47 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 6.1 mtp -61.99 -44.83 95.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.336 0.589 . . . . 0.0 109.656 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.65 -42.29 80.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.969 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -70.03 -48.04 59.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.711 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.2 -50.78 64.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.184 0.516 . . . . 0.0 110.375 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.423 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 57.73 28.24 15.57 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' A' ' 92' ' ' PRO . 79.7 t -162.71 60.66 1.04 Allowed Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.751 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.495 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.3 Cg_endo -46.42 -176.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.979 1.786 . . . . 0.0 111.144 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -118.25 130.18 55.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.425 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 t -49.53 -32.96 13.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.782 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.423 ' O ' ' OG1' ' A' ' 99' ' ' THR . 5.8 tmtt? -75.09 -36.12 61.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.5 m -65.38 -51.31 61.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.514 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.35 -43.6 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 29.2 t80 -58.85 -50.59 73.41 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.037 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.8 m -57.93 -44.78 87.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.015 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.9 -49.83 75.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.433 0.635 . . . . 0.0 110.105 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.3 mm -60.2 -40.83 84.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.933 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -52.4 -59.49 4.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.759 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.1 -45.75 90.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.5 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.38 -47.63 83.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.782 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -51.95 -47.15 64.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.782 0.801 . . . . 0.0 109.547 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.47 -39.45 90.94 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.094 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 52.2 m -59.27 -39.79 84.0 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.012 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 40.3 mt -67.26 -37.51 83.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.96 -47.9 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -65.41 -49.16 70.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -55.59 -29.84 59.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.149 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.99 18.52 55.85 Favored Glycine 0 N--CA 1.463 0.496 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.44 -44.85 64.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.521 -0.839 . . . . 0.0 111.107 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.4 t . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.401 -179.408 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.063 0.459 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.8 tpt -57.49 -49.96 74.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.251 -179.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.92 -45.19 90.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.33 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.98 -45.53 94.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.251 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -59.06 -51.06 71.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.587 1.184 . . . . 0.0 109.939 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -58.76 -62.86 1.56 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.519 -2.128 . . . . 0.0 111.291 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.488 ' O ' ' OG1' ' A' ' 17' ' ' THR . 3.4 m -52.31 -48.62 65.3 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.736 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -59.32 -51.15 71.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.552 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.88 -22.09 3.5 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.289 -179.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -108.31 -4.4 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.705 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 10.9 m -99.36 -8.23 25.12 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.234 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -64.54 -48.62 74.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.607 0.718 . . . . 0.0 109.588 179.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -51.78 -27.92 13.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.46 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.459 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 34.8 m-85 -89.66 147.32 23.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.472 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' A' ' 23' ' ' VAL . 96.8 mt-10 -114.4 173.65 6.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.883 -179.4 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.643 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 39.3 t-80 61.82 4.94 1.2 Allowed 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -179.517 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.499 ' H ' ' C ' ' A' ' 21' ' ' GLU . 97.5 t -127.96 131.74 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.008 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 37.1 p-10 -145.07 109.63 4.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.687 179.221 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.3 mt -81.03 92.82 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 121.347 0.594 . . . . 0.0 112.419 -178.045 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -97.04 -21.13 17.57 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.978 178.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.539 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 13.4 t-20 -158.1 -174.1 4.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.207 179.237 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.539 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 65.8 m-85 -103.47 -11.66 17.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.102 0.477 . . . . 0.0 110.436 -179.698 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.0 t -103.05 -76.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.678 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 m -59.5 -42.48 92.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.203 -178.038 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -67.6 -1.85 5.77 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.194 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.427 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 27.6 m95 -111.82 -4.19 14.69 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.369 -179.464 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.5 t -57.56 -17.4 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.592 -178.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.562 ' C ' ' H ' ' A' ' 36' ' ' MET . 74.2 m -81.6 -19.74 41.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.265 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.504 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 74.33 -12.07 6.03 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -178.4 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.607 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 26.7 mtt -66.19 -31.8 72.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.711 -0.744 . . . . 0.0 110.591 179.123 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.41 58.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.368 -179.183 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -57.06 -45.17 83.43 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.176 -178.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 1.3 m -66.77 -45.0 79.89 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.544 -0.463 . . . . 0.0 111.408 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.22 99.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.469 -178.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.15 -43.67 91.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 -179.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.7 mm -64.97 -42.36 94.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.646 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.459 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 19.8 t-80 -53.65 -47.47 70.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.389 . . . . 0.0 111.334 -178.161 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -43.54 -33.92 1.25 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.431 0.634 . . . . 0.0 110.903 -178.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -92.35 -25.59 18.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -126.08 101.33 28.98 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.392 -177.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -78.09 -39.01 0.51 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.7 1.6 . . . . 0.0 111.626 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -68.08 -34.8 77.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.37 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -34.16 -65.75 0.19 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.754 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -170.03 162.1 8.93 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.455 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.79 108.94 20.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 30.8 t80 -66.16 -16.29 63.84 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.33 -20.78 39.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -16.03 51.48 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.747 -179.386 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.25 176.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.073 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -156.16 142.01 12.83 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.056 -179.445 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.82 -12.79 2.12 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 122.017 1.811 . . . . 0.0 109.906 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -86.82 -10.22 54.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.057 -179.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -110.57 45.47 1.13 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.2 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -67.13 -52.24 44.21 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -52.26 -46.84 65.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.458 0.647 . . . . 0.0 109.689 -178.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -66.81 -33.43 75.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.435 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.545 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 25.4 t-20 -61.55 -41.99 98.19 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.506 -179.823 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.501 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 63.2 m-85 -69.0 -53.99 17.57 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.699 179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' SER . 13.5 m -56.46 -43.42 79.53 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.59 -47.47 85.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.173 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.9 90.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.063 -179.277 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 42.4 m-85 -79.62 -48.37 13.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.181 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' THR . 34.5 t -64.48 -27.74 69.19 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -78.36 -47.4 17.75 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.249 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.86 -34.06 77.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 82.4 tt0 -71.47 -49.24 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -63.32 -40.28 96.89 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.803 -178.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.2 mt -84.52 -30.98 24.7 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.83 2.2 3.68 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -177.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 98.7 m-20 46.02 34.49 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.92 179.48 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.0 t -52.32 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.487 -178.684 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.78 168.67 12.74 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.337 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -132.7 42.02 3.12 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.16 -17.41 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.369 -178.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.95 137.83 51.75 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.122 0.487 . . . . 0.0 111.888 -178.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -108.58 135.2 50.22 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.388 178.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.8 t -51.99 -52.22 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.624 -178.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.55 -45.71 77.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.292 -178.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.72 -43.27 99.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.973 0.416 . . . . 0.0 110.293 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.501 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 6.1 mtp -62.24 -42.85 99.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.376 0.608 . . . . 0.0 110.25 179.081 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.0 t -65.02 -42.77 95.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.97 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.36 -47.48 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.847 0.355 . . . . 0.0 111.837 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.66 -51.18 63.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.469 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.403 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 58.9 26.23 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.39 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 69.5 t -162.39 90.13 1.35 Allowed Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.602 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -73.24 -170.94 0.71 Allowed 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 121.934 1.756 . . . . 0.0 111.352 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -123.15 131.48 53.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.308 179.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 t -51.94 -34.14 40.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.782 -178.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -71.14 -41.77 70.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.583 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.6 m -63.18 -51.01 68.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.483 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.44 -45.04 93.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.511 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 24.0 t80 -57.49 -50.47 72.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.085 179.753 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.3 m -57.8 -43.81 85.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.105 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -61.14 -50.6 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.316 0.579 . . . . 0.0 110.349 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.3 mm -60.78 -40.91 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.148 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -50.03 -63.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -57.49 -44.27 84.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.798 -178.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.49 -47.53 83.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -52.58 -46.73 67.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.546 0.689 . . . . 0.0 109.451 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.04 -42.99 99.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.012 -178.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.55 ' OG ' ' NZ ' ' A' ' 111' ' ' LYS . 34.5 t -60.79 -41.17 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.868 179.052 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.09 -39.23 91.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.23 -46.22 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.449 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.01 -53.01 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.273 179.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.55 ' NZ ' ' OG ' ' A' ' 107' ' ' SER . 63.2 mttp -51.72 -28.18 14.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.333 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.51 18.18 59.1 Favored Glycine 0 N--CA 1.463 0.442 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 27.9 mt -75.14 -54.33 7.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.365 -0.917 . . . . 0.0 110.952 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.539 -179.578 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.196 0.522 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' A' ' 8' ' ' MET . 1.2 tmt? -61.64 -47.97 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.357 179.56 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.27 -43.69 90.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.514 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 tp -62.2 -47.28 85.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.619 -179.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.08 -53.91 52.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.606 1.193 . . . . 0.0 109.738 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.59 -60.61 3.18 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 112.559 -2.109 . . . . 0.0 111.274 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.9 t -52.59 -45.72 66.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.319 0.58 . . . . 0.0 110.998 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -61.14 -52.86 63.08 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.407 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.27 -17.91 0.3 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.36 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.8 mtt -113.06 -3.33 14.01 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.91 -11.16 27.11 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.179 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -67.46 -41.73 84.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.742 0.782 . . . . 0.0 109.701 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -53.08 -31.01 39.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.716 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.401 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 65.0 m-85 -107.75 106.1 16.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.033 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.633 ' C ' ' H ' ' A' ' 23' ' ' VAL . 57.0 mp0 -68.19 -172.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 -179.68 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.588 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 44.9 t-80 59.72 -0.1 0.22 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.745 0.783 . . . . 0.0 108.978 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.633 ' H ' ' C ' ' A' ' 21' ' ' GLU . 93.8 t -125.5 128.3 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.855 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -143.98 108.53 4.86 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.51 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.2 mt -79.17 97.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -111.85 -24.84 9.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.843 178.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.504 ' CG ' ' HG ' ' A' ' 29' ' ' SER . 18.7 t-20 -157.78 137.75 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.328 178.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.442 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 42.0 m-85 -61.42 -4.79 1.4 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.213 0.53 . . . . 0.0 110.651 -179.132 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.504 ' HG ' ' CG ' ' A' ' 27' ' ' ASN . 90.6 p -101.89 -74.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.488 ' N ' ' OG ' ' A' ' 29' ' ' SER . 62.0 p -58.08 -43.29 86.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.699 -177.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.1 m -72.22 1.71 7.17 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.228 -178.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.442 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 36.4 m95 -116.39 -8.59 11.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.762 -179.488 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.5 p -58.68 -18.97 35.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.232 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.55 ' HG ' ' H ' ' A' ' 36' ' ' MET . 88.8 p -86.42 -22.67 26.42 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.489 -179.342 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.68 -11.22 34.34 Favored Glycine 0 N--CA 1.459 0.171 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 -178.451 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.55 ' H ' ' HG ' ' A' ' 34' ' ' SER . 30.8 mmm -61.28 -30.03 70.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.496 -0.852 . . . . 0.0 110.304 179.49 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.39 -51.07 56.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.871 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.74 -41.96 78.44 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.342 -178.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 17.7 p -75.46 -43.39 49.77 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.283 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.559 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -60.19 -42.77 95.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.586 -178.658 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.64 -43.85 95.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.045 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.6 mm -66.29 -44.78 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.792 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 15.8 t-80 -56.2 -13.61 2.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.02 0.438 . . . . 0.0 111.386 -178.704 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -74.42 -39.56 62.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.464 -178.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -100.03 -15.01 18.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.85 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -125.84 98.1 34.47 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.331 -178.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.412 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -75.23 -38.18 1.61 Allowed 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.755 1.637 . . . . 0.0 111.755 179.761 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.6 -9.6 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.803 0.811 . . . . 0.0 108.812 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -55.43 -75.47 0.04 OUTLIER 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 114.271 -1.331 . . . . 0.0 112.399 -179.443 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 16.7 p90 -171.53 165.89 6.84 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.86 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 1.2 p30 -88.43 101.93 14.4 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.478 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -64.97 -20.25 66.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.26 -179.325 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.24 -10.32 59.79 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.792 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 2.7 tm-20 -100.32 -11.52 20.24 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.562 -179.346 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.76 152.88 28.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.962 0.411 . . . . 0.0 111.045 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.05 162.6 40.54 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.045 -179.21 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -75.62 -9.72 19.99 Favored 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 122.31 2.007 . . . . 0.0 109.971 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.57 -9.85 59.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.089 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -112.83 55.34 0.7 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.328 -178.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -69.42 -46.35 67.01 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -53.1 -53.04 56.23 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.761 -178.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -62.71 -36.24 82.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.829 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 28.2 t-20 -62.17 -44.18 97.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.606 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.515 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 43.7 m-85 -68.8 -56.59 7.53 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.93 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.7 m -52.17 -43.05 63.93 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.731 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.478 ' O ' ' OG1' ' A' ' 70' ' ' THR . 55.4 tp -60.91 -48.88 79.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.315 -179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.08 79.67 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.205 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -79.29 -49.47 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.7 m -63.47 -29.57 70.83 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 29.0 m -75.14 -51.91 12.27 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.356 178.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.19 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' ASP . 15.4 tm-20 -71.37 -52.46 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.066 0.46 . . . . 0.0 110.61 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.14 -39.17 91.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.928 -178.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -78.12 -47.42 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.89 8.54 8.74 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -177.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' GLU . 99.5 m-20 45.94 38.95 5.01 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.039 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.91 -162.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.616 -178.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.2 170.82 10.7 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.308 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -136.99 39.74 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.02 -18.15 64.62 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.356 -178.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.03 145.15 42.58 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.178 0.513 . . . . 0.0 112.1 -178.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -111.43 143.7 41.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.325 178.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.83 -51.81 65.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.29 -178.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -55.43 -46.63 76.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.195 -178.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -63.27 -44.38 95.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.803 0.335 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 3.5 mtp -61.91 -43.91 97.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.421 0.629 . . . . 0.0 109.897 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.1 t -70.06 -41.85 79.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.127 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -71.74 -48.45 46.88 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.96 -179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.88 -54.57 40.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 61.3 19.86 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 -177.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.498 ' O ' ' O ' ' A' ' 92' ' ' PRO . 95.9 t -155.37 57.7 1.69 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 113.689 -1.596 . . . . 0.0 109.998 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.8 Cg_endo -44.99 -179.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.895 1.73 . . . . 0.0 111.171 -179.519 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -113.96 129.18 56.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.974 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 m -48.78 -34.1 11.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.161 -178.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' O ' ' OG1' ' A' ' 99' ' ' THR . 19.1 ptmt -73.71 -34.68 64.91 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.8 m -66.48 -51.12 60.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.614 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.6 -43.98 97.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.041 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.431 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 19.9 t80 -59.38 -51.41 70.05 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 20.3 m -56.73 -45.21 82.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.183 -179.575 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -62.15 -49.95 73.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.698 . . . . 0.0 110.068 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.3 mm -59.63 -40.95 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.942 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -51.81 -60.29 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.445 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -59.44 -46.8 87.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.334 -179.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.8 tp -59.3 -45.48 91.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.675 -179.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 101' ' ' ILE . 83.8 t80 -53.69 -48.49 69.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.53 0.681 . . . . 0.0 109.827 -179.418 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -60.91 -38.17 84.82 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.078 -178.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.7 m -59.61 -40.31 87.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.03 178.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.81 -36.68 80.84 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.205 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.65 -48.79 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -178.23 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -65.91 -47.97 73.0 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.51 0.671 . . . . 0.0 109.587 179.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -55.05 -28.88 55.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.054 -179.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.74 18.38 58.38 Favored Glycine 0 N--CA 1.463 0.436 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.4 mt -74.5 -43.58 55.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.226 -0.987 . . . . 0.0 110.999 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.217 -179.127 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 121.1 0.476 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -50.57 -55.45 16.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.988 -179.517 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.67 -45.2 87.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.0 -46.11 92.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.457 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.44 -53.59 56.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.551 1.167 . . . . 0.0 109.882 179.32 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.493 ' O ' ' CE ' ' A' ' 16' ' ' MET . 87.0 t90 -54.4 -62.07 1.89 Allowed 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 112.683 -2.053 . . . . 0.0 111.067 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 m -51.71 -45.2 63.48 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.973 0.416 . . . . 0.0 110.643 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.2 ttp180 -63.02 -52.35 63.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.714 0.769 . . . . 0.0 110.233 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -44.32 -15.94 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.159 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.616 ' N ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -104.03 -20.86 13.71 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.683 -179.271 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.548 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.4 p -68.55 -11.21 59.62 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.205 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 35.6 ptt-85 -63.6 -37.87 88.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.783 0.802 . . . . 0.0 109.462 179.253 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.44 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 18.4 t-20 -66.69 -36.36 82.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.022 -179.838 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.526 ' O ' ' O ' ' A' ' 17' ' ' THR . 70.2 m-85 -98.65 151.92 20.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.683 -179.155 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 23' ' ' VAL . 10.7 pt-20 -117.32 176.17 5.28 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.881 -179.42 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.601 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.7 OUTLIER 59.79 9.62 1.74 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.867 0.842 . . . . 0.0 108.745 -179.501 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' H ' ' C ' ' A' ' 21' ' ' GLU . 54.1 t -122.29 131.62 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.945 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 42.1 p-10 -145.7 106.02 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.621 179.638 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.2 mt -85.11 89.97 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 112.722 -178.243 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -100.7 -13.04 18.67 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.959 178.238 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -157.51 176.44 12.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.384 179.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -99.48 -6.58 27.34 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.97 0.414 . . . . 0.0 110.376 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 m -104.24 -72.21 0.71 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -177.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 m -57.26 -43.9 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -177.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -72.93 2.33 7.08 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.175 -179.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -115.74 -10.83 11.71 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.772 -179.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 4.8 m -62.38 -9.62 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.188 -178.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.5 t -91.16 -23.2 20.32 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -179.444 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.57 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 77.54 -15.28 7.69 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -177.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.533 ' H ' ' C ' ' A' ' 34' ' ' SER . 11.8 mmm -61.27 -28.23 69.03 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.656 -0.772 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.56 -49.12 43.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.682 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -45.18 90.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.005 -179.174 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 15.4 p -68.79 -46.52 68.48 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.274 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.613 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -64.77 -41.23 96.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.351 -178.651 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.36 -42.62 99.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.929 0.395 . . . . 0.0 110.964 -178.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.59 -39.55 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.268 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -56.84 -40.64 76.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.4 -178.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.467 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 4.3 tmtt? -53.03 -36.4 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.689 -178.131 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -89.71 -36.93 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 49' ' ' ALA . 99.2 m-85 -115.34 73.34 3.74 Favored Pre-proline 0 C--O 1.217 -0.646 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.137 -178.15 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.69 -37.44 15.85 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 121.748 1.632 . . . . 0.0 112.043 -178.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -63.99 -20.89 66.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.366 0.603 . . . . 0.0 109.4 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 46' ' ' PHE . . . -33.39 -77.57 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.329 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -168.14 162.28 12.9 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.444 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -77.79 93.37 4.32 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -61.01 -20.74 62.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.978 -179.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.64 -20.02 44.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.662 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -84.38 -14.59 49.03 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.791 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.8 mt -82.19 148.45 28.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 111.03 -179.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' A' ' 58' ' ' ALA . 3.5 m-20 -125.67 147.21 57.6 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.211 -179.625 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -51.34 -10.67 0.47 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.045 1.83 . . . . 0.0 109.887 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.534 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -72.46 -44.27 62.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.662 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -88.04 59.51 5.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.58 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.534 ' NH2' ' O ' ' A' ' 33' ' ' SER . 27.8 mtp85 -70.96 -52.59 18.94 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.51 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -52.44 -49.17 65.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.413 0.625 . . . . 0.0 110.231 -178.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -60.54 -33.68 73.02 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.82 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 46.8 t30 -62.51 -41.03 98.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.339 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 52.4 m-85 -66.22 -58.71 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.63 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -51.59 -42.61 62.05 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.712 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.7 -48.18 82.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.184 -179.509 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -38.22 86.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.051 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -78.47 -48.8 14.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.074 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.8 t -63.72 -27.22 69.05 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.95 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.4 m -78.59 -45.43 21.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.354 178.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -63.75 -35.48 80.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.752 -179.681 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ASP . 44.3 tp10 -72.41 -49.8 31.01 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.933 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.39 -41.9 94.79 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.976 -178.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.9 mt -87.75 -40.71 13.86 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -179.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -115.98 -0.68 12.71 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.499 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 77' ' ' CYS . 98.4 m-20 49.12 34.08 5.51 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.831 179.559 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.3 t -49.07 -163.77 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.666 -178.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.73 174.38 7.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.331 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -127.97 40.67 3.64 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.8 -26.59 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.754 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mt -114.37 142.26 46.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.228 0.537 . . . . 0.0 112.24 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -110.96 142.66 42.77 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.171 178.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.16 -52.34 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.386 -178.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 88' ' ' ARG . 91.9 m-20 -55.93 -46.08 78.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.182 -178.274 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.77 -44.44 96.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.856 0.36 . . . . 0.0 110.174 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.4 mtp -62.68 -44.49 96.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.379 0.609 . . . . 0.0 109.436 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.38 -40.53 77.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.83 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' ASP . 53.0 ttp180 -72.1 -48.67 42.21 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.905 0.383 . . . . 0.0 111.985 -179.628 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.82 -49.81 64.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.365 -179.079 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 57.61 25.22 11.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 92' ' ' PRO . 97.0 t -158.35 59.86 1.66 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.676 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.483 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.3 Cg_endo -46.28 -176.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 121.967 1.778 . . . . 0.0 111.226 -179.617 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -117.04 130.02 56.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.311 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -49.44 -33.19 13.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.209 -178.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -75.61 -33.25 60.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.63 179.157 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.3 m -67.46 -53.57 27.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.89 -44.48 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.293 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 16.6 t80 -59.03 -50.48 73.92 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.154 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.2 m -58.44 -44.28 89.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.721 -179.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.49 -49.67 75.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.334 0.588 . . . . 0.0 110.052 179.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 105' ' ' TYR . 8.9 mm -61.11 -41.04 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.161 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -49.46 -63.12 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.825 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -57.87 -44.14 86.44 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.904 -178.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.439 ' O ' ' OG ' ' A' ' 107' ' ' SER . 52.1 tp -60.89 -44.72 96.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 101' ' ' ILE . 62.5 t80 -53.63 -47.74 70.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.697 0.76 . . . . 0.0 109.618 -179.173 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -60.48 -42.75 96.89 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.847 -178.23 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 104' ' ' LEU . 92.5 p -58.9 -38.67 79.43 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.805 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.4 -41.01 96.88 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.921 179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.81 -46.46 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.245 -178.421 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -51.52 64.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.299 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -53.9 -24.44 16.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.446 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.6 19.82 65.25 Favored Glycine 0 N--CA 1.461 0.314 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.0 mt -75.03 -55.02 6.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.61 -0.795 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.532 0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.784 -179.658 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 109.867 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 8' ' ' MET . 1.0 OUTLIER -60.25 -48.53 81.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.342 -179.698 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.29 -43.07 95.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.408 179.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.1 tp -60.47 -48.28 82.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.493 -179.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.69 -55.0 40.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.568 1.175 . . . . 0.0 110.101 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -53.91 -62.24 1.78 Allowed 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.421 -2.172 . . . . 0.0 111.366 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -50.86 -36.09 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.413 0.625 . . . . 0.0 111.029 179.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.473 ' C ' ' H ' ' A' ' 16' ' ' MET . 35.2 ttm180 -70.83 -48.16 55.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.736 0.779 . . . . 0.0 110.563 179.296 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.533 ' O ' ' NH1' ' A' ' 18' ' ' ARG . . . -47.52 -13.43 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.477 -179.062 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.473 ' H ' ' C ' ' A' ' 14' ' ' ARG . 13.7 ptp -121.79 -0.43 9.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.045 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.8 m -85.4 -13.46 49.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.217 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.533 ' NH1' ' O ' ' A' ' 15' ' ' ALA . 79.2 mtm-85 -64.81 -34.34 78.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.411 0.624 . . . . 0.0 109.922 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.74 -37.72 87.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.38 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.538 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 54.1 m-85 -104.52 94.46 5.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.597 -179.306 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.603 ' C ' ' H ' ' A' ' 23' ' ' VAL . 97.0 mt-10 -68.0 -172.48 0.3 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.494 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.3 t60 61.4 0.17 0.42 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.621 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.603 ' H ' ' C ' ' A' ' 21' ' ' GLU . 72.0 t -124.05 129.22 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.345 -179.7 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -137.04 107.33 6.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.887 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.0 mt -85.09 87.46 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.412 0.625 . . . . 0.0 112.182 -178.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -94.0 -23.69 17.93 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.084 178.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.4 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 61.4 t30 -147.33 -175.7 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.819 -1.082 . . . . 0.0 108.214 178.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 68.3 m-85 -105.1 -7.31 19.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.072 0.463 . . . . 0.0 110.318 -179.505 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' A' ' 30' ' ' SER . 94.6 p -106.22 -68.6 0.87 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -177.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.467 ' N ' ' OG ' ' A' ' 29' ' ' SER . 77.9 p -59.56 -45.21 92.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.541 -177.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.413 ' N ' ' HG ' ' A' ' 30' ' ' SER . 55.8 m -74.16 6.19 3.73 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.315 -178.653 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.408 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.8 m95 -116.33 -8.46 11.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.714 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.5 m -55.52 -39.07 70.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.228 -179.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -64.12 -26.61 68.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.49 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 81.15 -10.94 45.83 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 108.774 -1.73 . . . . 0.0 108.774 -178.064 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.453 ' H ' ' C ' ' A' ' 34' ' ' SER . 48.4 mmm -62.23 -27.23 68.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.605 -0.797 . . . . 0.0 110.282 179.273 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.08 -50.27 56.09 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 -179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.22 -44.99 88.45 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.061 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 4.6 m -66.55 -47.23 73.51 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.044 -179.678 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -61.5 -42.08 98.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.409 -178.401 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD1' ' SD ' ' A' ' 16' ' ' MET . 53.6 tp -61.95 -43.0 99.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -178.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.2 mm -66.93 -42.76 89.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.542 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.538 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 32.8 t-80 -56.19 -12.67 1.64 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.275 -178.494 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -79.33 -38.03 36.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.633 -179.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.4 m-85 -82.57 -41.95 18.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.972 -178.251 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 49' ' ' ALA . 20.0 m-85 -122.77 74.91 46.59 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.436 -178.135 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.492 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.0 Cg_endo -46.2 -34.78 14.14 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.906 1.737 . . . . 0.0 111.423 -179.094 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.83 -4.78 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 46' ' ' PHE . . . -52.96 -70.57 0.09 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.612 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.504 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 5.3 p90 -169.92 164.95 9.7 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.614 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -82.85 94.76 7.75 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -61.87 -21.96 65.13 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 120.967 0.413 . . . . 0.0 111.169 -179.001 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.53 -14.39 58.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.66 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -92.21 -14.3 29.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.4 mt -84.33 151.58 24.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 110.95 -179.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.73 162.37 35.05 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.398 -179.35 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -74.82 -12.39 21.91 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 122.197 1.932 . . . . 0.0 110.019 179.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.78 -44.87 72.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.305 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -87.7 68.85 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.432 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -73.51 -46.07 50.09 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -51.81 -47.46 64.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.144 0.497 . . . . 0.0 110.542 -178.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -66.4 -36.71 83.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.756 179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 18.6 t-20 -61.63 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.144 0.497 . . . . 0.0 110.627 -179.378 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 48.2 m-85 -68.32 -55.18 12.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.707 179.274 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.7 m -52.64 -42.64 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.387 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.442 ' O ' ' OG1' ' A' ' 70' ' ' THR . 52.0 tp -60.11 -49.89 75.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.007 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.61 -38.17 77.44 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.876 -178.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -80.5 -49.94 10.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.041 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.9 p -62.16 -31.1 71.56 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.782 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 25.9 m -76.0 -48.73 19.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.355 178.43 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.47 -32.74 74.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.994 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 76' ' ' ASP . 84.7 tt0 -70.47 -51.62 27.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.058 0.456 . . . . 0.0 110.62 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.44 -38.98 82.11 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.829 -178.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -77.41 -49.06 15.65 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.19 8.7 9.18 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' A' ' 72' ' ' GLU . 98.8 m-20 47.4 40.14 10.38 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.034 179.305 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.542 ' SG ' ' CD1' ' A' ' 104' ' ' LEU . 62.3 m -48.0 -169.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.472 -178.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.72 170.9 13.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.33 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -126.64 35.39 4.64 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.1 -26.67 66.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.341 -178.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.94 145.94 37.47 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.284 0.564 . . . . 0.0 112.079 -178.572 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -116.41 135.68 53.64 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.3 179.09 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.14 -53.71 17.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.529 -178.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' ARG . 98.8 m-20 -54.64 -45.08 73.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.004 -178.505 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.84 -45.4 94.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.905 0.383 . . . . 0.0 110.087 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.409 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 13.9 mtp -61.85 -45.69 92.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.325 0.583 . . . . 0.0 109.941 179.123 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.51 -42.21 86.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.841 179.225 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ASP . 51.7 ttp180 -71.24 -48.6 50.22 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.611 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 91.4 mt -67.55 -49.27 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.275 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.431 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 56.69 29.91 16.62 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -177.353 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.504 ' O ' ' O ' ' A' ' 92' ' ' PRO . 78.2 t -162.89 61.41 1.1 Allowed Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 113.582 -1.645 . . . . 0.0 109.931 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.4 Cg_endo -45.8 -177.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 121.871 1.714 . . . . 0.0 111.229 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 96' ' ' CYS . 27.7 t0 -120.61 131.59 54.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.446 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.7 m -45.97 -32.71 2.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.041 -178.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' O ' ' CG2' ' A' ' 99' ' ' THR . 11.6 ptmm? -79.49 -27.81 41.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.338 179.463 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 93' ' ' ASP . 9.7 m -72.34 -41.64 66.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.451 0.643 . . . . 0.0 110.537 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.73 -43.09 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.107 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 22.0 t80 -62.07 -52.73 62.73 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.577 -178.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 95' ' ' LYS . 14.9 t -59.19 -42.2 90.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.3 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.41 ' N ' ' CG2' ' A' ' 99' ' ' THR . 62.5 t80 -62.53 -50.9 69.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.488 0.661 . . . . 0.0 110.079 179.091 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.0 mm -60.04 -37.5 72.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.057 179.754 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -53.38 -59.22 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.691 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -59.44 -46.85 87.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.498 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.542 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 14.1 tp -61.39 -44.51 97.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.705 -179.86 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' ILE . 91.7 t80 -53.82 -48.35 69.98 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.49 0.662 . . . . 0.0 109.678 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -61.02 -38.76 87.24 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.937 -178.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 t -59.18 -40.51 85.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.636 178.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.6 mt -67.75 -38.11 83.04 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.075 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.69 -49.09 85.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.929 -177.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -64.15 -43.73 94.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.327 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -61.88 -25.78 67.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.37 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.74 20.07 58.71 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.1 mt -75.98 -38.52 57.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.367 -0.916 . . . . 0.0 110.941 179.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 CA--C 1.532 0.257 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.541 -178.679 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.451 ' C ' ' SD ' ' A' ' 8' ' ' MET . 1.6 tmt? -59.51 -46.04 89.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.69 -45.16 94.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.443 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.27 -47.31 86.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.509 -179.182 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -59.15 -53.43 58.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.44 1.114 . . . . 0.0 110.216 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -52.95 -59.74 4.15 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 112.541 -2.118 . . . . 0.0 111.111 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' THR . 5.1 t -54.2 -43.77 71.04 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.943 179.164 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -60.0 -35.03 74.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.243 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.87 -29.03 69.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.774 -178.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 ptp -116.08 -2.55 12.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' CYS . 61.1 m -99.31 -13.13 19.78 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.971 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' TYR . 72.0 ttt180 -68.0 -45.75 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 109.674 179.155 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -40.71 -25.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.871 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ARG . 64.1 m-85 -104.36 101.32 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.758 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.62 ' C ' ' H ' ' A' ' 23' ' ' VAL . 18.3 pt-20 -66.43 -175.94 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.71 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.639 ' NE2' ' SD ' ' A' ' 36' ' ' MET . 0.9 OUTLIER 61.49 -0.76 0.36 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.729 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' H ' ' C ' ' A' ' 21' ' ' GLU . 70.0 t -125.66 128.82 72.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.47 -179.797 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 99.6 m-20 -141.83 110.47 6.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.879 179.723 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.5 mt -76.96 104.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.521 0.676 . . . . 0.0 112.723 -178.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.412 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 7.7 tt0 -104.5 -31.11 9.62 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.874 178.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 26' ' ' GLN . 93.3 m-20 -151.15 -172.22 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.234 178.683 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -101.81 -4.96 25.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.167 0.508 . . . . 0.0 110.393 -179.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -109.63 -65.08 1.18 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -60.78 -45.68 93.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.462 -178.319 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -74.86 4.98 5.55 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.859 -178.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -115.73 -7.8 12.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.748 -179.435 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.5 p -54.87 -33.63 62.08 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.345 -178.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.566 ' C ' ' H ' ' A' ' 36' ' ' MET . 78.3 p -66.79 -26.26 66.87 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.403 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.573 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 75.67 -12.68 7.78 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 -178.047 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.639 ' SD ' ' NE2' ' A' ' 22' ' ' HIS . 86.7 mtp -68.82 -20.43 64.31 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.59 -0.805 . . . . 0.0 110.181 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.55 -49.82 56.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.261 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -40.54 71.73 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.789 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.591 ' SG ' ' ND2' ' A' ' 63' ' ' ASN . 17.0 m -70.22 -44.39 68.71 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.084 -179.103 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.82 99.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.501 -178.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.22 -41.22 98.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.548 ' C ' ' H ' ' A' ' 44' ' ' LYS . 3.2 mm -69.13 -43.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.584 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.437 ' HD1' ' HH ' ' A' ' 20' ' ' TYR . 16.2 t-80 -50.39 -8.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.4 -178.102 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.548 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -87.32 -33.41 19.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.987 -179.837 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -87.97 -32.15 19.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.854 -178.261 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 49' ' ' ALA . 13.7 m-85 -136.72 67.49 58.16 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.35 -178.321 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.548 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.1 Cg_endo -45.29 -34.35 9.95 Favored 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 121.983 1.789 . . . . 0.0 111.562 -179.267 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.17 -2.44 2.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 46' ' ' PHE . . . -60.19 -66.35 0.54 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.854 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.433 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 5.7 p90 -167.59 162.01 13.98 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.59 179.627 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -82.88 93.19 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.28 -23.8 50.74 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 -179.229 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.28 -14.27 59.13 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.621 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -92.13 -17.86 24.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.804 -179.286 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.33 151.88 26.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.071 0.462 . . . . 0.0 111.142 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.95 164.1 24.21 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.353 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -74.87 -13.54 21.7 Favored 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 122.085 1.857 . . . . 0.0 110.136 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.73 -46.44 65.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.279 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -85.26 50.34 1.93 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.194 -179.082 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -62.94 -42.58 99.85 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -51.86 -49.33 63.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.432 0.634 . . . . 0.0 110.507 -178.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -66.1 -34.41 77.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.687 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.591 ' ND2' ' SG ' ' A' ' 39' ' ' CYS . 5.3 t30 -61.57 -42.74 99.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.528 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 39.8 m-85 -65.73 -57.75 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.368 179.344 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.9 m -52.37 -43.31 64.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.476 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.15 -50.67 73.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.129 -179.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 -39.06 76.5 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.944 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -79.57 -47.03 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.054 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 t -61.12 -29.19 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.798 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.9 m -80.1 -46.55 16.28 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.154 178.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.44 83.82 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 76' ' ' ASP . 85.2 tt0 -72.32 -50.93 23.2 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.697 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -58.02 -40.7 81.45 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.691 -0.803 . . . . 0.0 110.769 -178.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.5 mt -81.05 -51.69 8.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.93 4.86 15.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 72' ' ' GLU . 72.2 m-20 47.9 40.04 12.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 119.824 -0.751 . . . . 0.0 110.048 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.3 t -47.76 -171.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.646 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.57 171.87 12.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.326 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -125.22 69.51 1.14 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 mt -102.44 -26.33 13.3 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.629 -178.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -109.09 142.26 40.08 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.299 0.571 . . . . 0.0 112.035 -178.423 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -116.98 128.39 55.14 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.02 178.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.9 t -44.68 -55.84 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.761 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 88' ' ' ARG . 96.8 m-20 -53.48 -46.41 69.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.396 -178.269 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -62.38 -45.03 94.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.01 0.433 . . . . 0.0 110.117 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 14.8 mtp -61.04 -46.23 91.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.46 0.648 . . . . 0.0 110.004 179.575 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.31 -41.94 78.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.093 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.447 ' HG3' HH11 ' A' ' 88' ' ' ARG . 54.4 ttm-85 -69.56 -47.29 64.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.773 0.321 . . . . 0.0 111.794 -179.311 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.31 -52.14 59.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.078 0.466 . . . . 0.0 110.337 -179.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 64.14 24.76 13.54 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.152 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 91' ' ' VAL . 73.6 t -162.49 59.88 0.98 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 113.822 -1.535 . . . . 0.0 109.644 -179.638 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.479 ' O ' ' O ' ' A' ' 91' ' ' VAL . 3.1 Cg_exo -43.83 175.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 121.909 1.739 . . . . 0.0 111.339 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 91.4 m-20 -111.05 126.21 54.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.228 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.3 p -50.85 -31.94 18.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.09 -178.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' A' ' 99' ' ' THR . 65.3 tttm -69.11 -42.43 76.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.37 178.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.628 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 2.4 p -65.78 -46.74 77.61 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.783 -179.25 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.628 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 91.1 t -63.12 -46.36 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 21.1 t80 -58.67 -50.21 74.7 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.981 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 18.2 m -58.42 -42.7 87.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.986 -179.773 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -62.55 -52.01 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.445 0.641 . . . . 0.0 110.446 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 105' ' ' TYR . 27.6 mm -59.36 -39.83 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.201 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -52.98 -59.18 4.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.741 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -60.36 -47.86 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.591 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.15 -45.34 93.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.767 -179.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' ILE . 84.0 t80 -54.32 -48.36 71.43 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.667 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -60.15 -43.2 95.93 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.777 -1.102 . . . . 0.0 111.106 -178.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.8 m -56.44 -41.6 76.7 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.738 178.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.99 -39.79 94.93 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.34 -47.03 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.438 -178.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -45.35 93.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -65.86 -15.23 62.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.332 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.61 23.53 76.63 Favored Glycine 0 N--CA 1.463 0.497 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.22 -49.43 27.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.001 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.531 0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.149 -178.546 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.08 0.467 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 tpt -56.32 -48.11 77.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.423 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.97 -46.2 85.67 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.431 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.99 -46.59 88.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.671 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -57.65 -46.85 83.66 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.563 1.173 . . . . 0.0 109.913 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -67.31 -65.04 0.74 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.326 -2.215 . . . . 0.0 111.159 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' O ' ' OG1' ' A' ' 17' ' ' THR . 7.7 m -50.83 -50.66 56.09 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -59.99 -48.81 80.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.501 -179.445 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.06 -38.48 68.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.628 -179.002 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.469 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.2 mpp? -89.09 -0.73 57.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.687 -179.483 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 87.4 m -103.81 -5.77 22.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.325 -179.474 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -65.72 -46.21 79.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.715 0.769 . . . . 0.0 109.86 178.414 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -51.33 -30.0 17.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.995 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.56 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 64.6 m-85 -97.43 99.43 10.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.115 -179.453 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.603 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.96 -177.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.407 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.685 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 19.2 t-80 62.38 -1.02 0.45 Allowed 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.867 0.842 . . . . 0.0 108.796 -179.589 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.603 ' H ' ' C ' ' A' ' 21' ' ' GLU . 64.6 t -128.53 131.39 68.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.9 -179.657 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -146.82 110.63 4.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.716 179.23 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -82.96 94.83 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -93.36 -24.78 17.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.975 178.252 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -151.73 -172.07 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.24 178.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.61 -11.86 16.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.098 0.475 . . . . 0.0 110.472 -179.515 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 p -104.69 -71.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.778 -178.121 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -61.17 -42.63 98.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.196 -178.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.7 0.14 7.63 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.821 -178.626 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -113.09 -5.05 13.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.653 -179.575 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.434 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 70.9 m -63.33 -4.76 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.449 -178.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.531 ' C ' ' H ' ' A' ' 36' ' ' MET . 4.7 t -91.91 -24.47 19.29 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.721 -179.223 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.535 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 79.31 -16.18 10.39 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 -177.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.531 ' H ' ' C ' ' A' ' 34' ' ' SER . 36.3 mmm -62.61 -31.07 71.84 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.535 -0.833 . . . . 0.0 110.382 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -52.07 62.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.994 -178.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.17 -45.56 87.29 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.105 -178.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.493 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 8.9 m -68.32 -47.05 68.56 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.289 -179.265 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.51 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -62.17 -41.86 98.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.579 -177.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.09 -45.19 94.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.893 0.378 . . . . 0.0 110.767 -178.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.504 ' C ' ' H ' ' A' ' 44' ' ' LYS . 6.3 mm -66.46 -44.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.887 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.56 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 29.5 t-80 -55.38 -6.61 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.403 -178.038 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 42' ' ' ILE . 6.0 tmtt? -84.05 -35.04 24.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.341 -179.443 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.14 -19.31 17.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.674 -178.619 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -128.42 98.1 26.68 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.319 -178.44 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -74.53 -37.3 2.45 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.826 1.684 . . . . 0.0 111.721 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 21.4 mp0 -70.75 2.82 3.72 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -61.89 -77.55 0.05 OUTLIER 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.04 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.537 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.0 p90 -165.56 159.35 16.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.657 179.277 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -81.04 94.37 6.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -62.16 -22.06 65.57 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.203 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.32 -13.05 59.89 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.673 -179.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -96.31 -11.43 25.91 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.749 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -84.23 152.17 24.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.943 0.401 . . . . 0.0 111.105 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -123.92 164.18 30.85 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.436 -179.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -74.65 -9.11 21.09 Favored 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.308 2.005 . . . . 0.0 110.048 179.165 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.25 62.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.162 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -90.8 53.3 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.538 -178.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 33' ' ' SER . 57.3 mtp180 -64.33 -45.18 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.687 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -50.66 -48.42 58.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.191 0.52 . . . . 0.0 110.387 -178.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -65.85 -34.6 78.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.692 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 24.9 t30 -61.25 -42.49 98.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.53 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 56.1 m-85 -67.53 -55.29 14.09 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.389 179.482 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 69' ' ' SER . 16.7 m -54.15 -41.69 68.72 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.31 -49.52 76.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.65 84.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.96 -179.035 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -79.53 -48.41 13.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.002 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' THR . 24.4 t -65.67 -28.04 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.947 -179.74 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.7 m -79.14 -48.09 14.92 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.144 178.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.45 78.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.089 -179.599 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 76' ' ' ASP . 86.2 tt0 -74.78 -46.61 35.81 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 110.683 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -59.13 -42.86 91.63 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.702 -178.644 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.33 -44.26 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.87 2.49 17.05 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -177.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 72' ' ' GLU . 91.5 m-20 50.11 31.72 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.881 179.506 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' ASP . 22.7 p -49.21 -165.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.619 -178.879 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.64 174.98 7.07 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.274 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -131.31 40.14 3.46 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.44 -26.65 68.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.53 -178.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -112.35 145.75 39.51 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.357 0.599 . . . . 0.0 112.13 -178.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -114.23 140.95 48.15 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.117 178.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.0 -52.3 59.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.381 -178.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -53.93 -46.03 71.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.241 -178.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.65 -43.48 98.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.903 0.383 . . . . 0.0 110.19 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.53 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 4.5 mtp -60.95 -43.52 98.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.382 0.611 . . . . 0.0 109.68 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.27 -42.98 97.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.062 179.51 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -73.41 -50.2 23.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 111.712 -179.346 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.7 mt -55.32 -61.74 2.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.53 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 64.74 21.99 12.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -176.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' A' ' 92' ' ' PRO . 77.8 t -160.03 59.9 1.36 Allowed Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.695 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.49 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.5 Cg_endo -44.06 176.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.489 1.264 0 C-N-CA 121.989 1.792 . . . . 0.0 111.366 -179.578 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -112.41 128.16 56.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.368 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -49.52 -32.92 13.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.979 -178.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.44 ' O ' ' OG1' ' A' ' 99' ' ' THR . 32.4 tptt -73.85 -35.82 64.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.417 179.036 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.5 m -66.05 -52.12 51.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.629 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.38 -44.53 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 21.4 t80 -59.02 -51.35 70.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.176 -179.736 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.2 m -58.08 -43.49 87.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.232 -179.287 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.51 -50.83 71.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.489 0.661 . . . . 0.0 110.308 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' TYR . 26.2 mm -61.42 -40.93 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.207 179.792 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -50.51 -61.18 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.98 -45.03 91.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.645 -179.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.47 -43.48 98.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.3 t80 -53.67 -47.06 70.77 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.647 0.737 . . . . 0.0 109.757 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -60.18 -41.6 93.25 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.924 -179.01 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 t -59.22 -42.79 91.81 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.846 178.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.2 mt -62.01 -38.76 89.83 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.97 -46.75 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.462 -178.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -49.74 70.8 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.376 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -58.8 -19.64 42.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.226 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.53 77.81 Favored Glycine 0 N--CA 1.465 0.601 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.94 -43.35 58.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.422 -0.889 . . . . 0.0 111.185 179.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 81.3 t . . . . . 0 N--CA 1.464 0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.419 -178.089 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.132 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -59.16 -46.91 87.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.322 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.28 -43.71 97.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.459 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 49.2 tp -60.77 -47.51 85.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.334 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.1 -54.52 46.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.58 1.181 . . . . 0.0 110.144 179.505 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.504 ' O ' ' CE ' ' A' ' 16' ' ' MET . 84.6 t90 -53.33 -61.95 1.97 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 112.638 -2.074 . . . . 0.0 111.344 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 14.1 p -52.58 -43.81 65.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 110.985 179.62 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.605 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 69.0 ttp85 -63.2 -47.4 82.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.977 0.894 . . . . 0.0 110.154 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -54.09 -10.77 0.38 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.138 -179.366 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.2 mpp? -112.98 1.88 15.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.616 -179.415 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 14' ' ' ARG . 16.7 p -95.12 -8.68 35.77 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -64.83 -41.4 95.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 109.692 178.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.41 -36.45 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.026 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.553 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 97.0 m-85 -94.29 152.82 18.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.625 -179.541 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' C ' ' H ' ' A' ' 23' ' ' VAL . 45.8 mt-10 -118.75 172.89 7.2 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.741 -179.291 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 3.6 t60 60.43 4.63 0.73 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.533 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.537 ' H ' ' C ' ' A' ' 21' ' ' GLU . 74.0 t -123.95 128.19 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.035 -179.802 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 23.8 p-10 -147.15 109.64 4.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.631 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.9 mt -87.29 87.68 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.57 0.7 . . . . 0.0 112.329 -178.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -93.64 -23.51 18.24 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.123 178.579 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -142.19 179.6 6.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.042 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.417 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 58.1 m-85 -105.01 -12.16 16.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.007 0.432 . . . . 0.0 110.414 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -106.93 -69.92 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.686 -177.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -61.84 -43.11 99.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.383 -178.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.78 1.04 7.52 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.774 -178.495 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.417 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 30.8 m95 -112.84 -3.85 14.09 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.571 -179.386 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -54.22 -41.35 68.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.181 -178.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.537 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -63.5 -25.19 68.14 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.63 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 75.48 -9.29 15.35 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 108.686 -1.765 . . . . 0.0 108.686 -177.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.537 ' H ' ' C ' ' A' ' 34' ' ' SER . 4.0 mmt -62.83 -20.86 65.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.622 -0.789 . . . . 0.0 110.331 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.91 -48.18 32.64 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.522 -179.698 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.32 -43.42 83.28 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.871 -179.397 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.502 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 5.5 m -71.76 -45.8 60.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.955 0.407 . . . . 0.0 111.045 -179.255 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.75 95.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.34 -178.21 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.62 -44.21 91.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.415 HG23 HD12 ' A' ' 42' ' ' ILE . 26.0 mm -65.49 -44.12 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.688 179.501 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.553 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 39.2 t-80 -59.79 -8.68 2.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 111.478 -178.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 44' ' ' LYS . 3.6 tmtt? -75.54 -41.05 55.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.56 0.695 . . . . 0.0 111.142 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -99.97 -15.0 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.88 -177.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -124.0 97.64 40.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.279 -178.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.9 Cg_endo -75.56 -40.55 0.75 Allowed 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.787 1.658 . . . . 0.0 111.815 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.78 -2.69 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -58.4 -78.19 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.046 -179.491 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.434 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 9.2 p90 -168.61 162.83 12.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.575 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 54' ' ' GLU . 7.8 t0 -84.44 96.44 9.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.727 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.513 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 22.9 t80 -64.94 -20.17 66.33 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.171 -179.329 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.5 -9.71 59.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.59 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 2.0 mm-40 -97.14 -12.56 22.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 -179.267 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.4 -176.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.959 0.409 . . . . 0.0 111.206 -178.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.72 171.97 6.74 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.054 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -75.46 -17.11 18.83 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.087 1.858 . . . . 0.0 110.304 179.035 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.03 -3.82 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.032 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -108.88 36.55 2.83 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.018 -178.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -64.87 -56.67 11.99 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.261 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -51.64 -45.66 63.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.465 0.65 . . . . 0.0 110.182 -178.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -66.49 -34.6 78.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.502 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 28.2 t-20 -61.05 -42.71 98.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.621 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 39.9 m-85 -69.07 -53.63 19.34 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.867 179.502 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 m -56.22 -42.65 77.6 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.384 -0.527 . . . . 0.0 109.725 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.46 -50.53 73.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.176 -179.373 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.09 -36.36 70.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.986 -178.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 43.3 m-85 -81.75 -49.87 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.017 179.73 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.4 m -61.46 -32.59 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.823 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -77.75 -47.71 18.37 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.277 178.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.84 77.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.782 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 39.1 tp10 -71.71 -49.51 38.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.626 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -59.06 -41.06 87.04 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.755 -179.002 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -77.65 -48.61 16.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -178.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.81 8.0 9.94 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 30.5 t70 47.24 37.19 5.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.978 179.297 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 84.1 m -48.85 -166.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.122 -0.945 . . . . 0.0 112.498 -179.035 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.8 169.44 15.17 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.267 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -131.7 33.91 3.95 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.021 0.438 . . . . 0.0 110.055 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.32 -22.5 66.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.335 -178.312 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -110.53 147.63 33.76 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.227 0.537 . . . . 0.0 112.217 -178.42 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -116.42 140.71 49.05 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.474 179.093 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.2 t -57.94 -51.96 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.393 -178.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -55.09 -45.39 75.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.009 -178.489 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -57.74 -46.22 84.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.206 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.621 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 3.2 mtm -61.21 -45.76 93.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.409 0.623 . . . . 0.0 110.141 178.595 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.75 -42.01 91.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.635 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' A' ' 88' ' ' ARG . 40.0 ttm-85 -73.66 -50.26 21.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.732 0.301 . . . . 0.0 111.621 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.3 mt -68.0 -48.18 66.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.193 0.52 . . . . 0.0 110.007 -178.504 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 56.21 31.51 18.54 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -177.376 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 92' ' ' PRO . 79.5 t -161.84 62.39 1.42 Allowed Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.749 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.469 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.7 Cg_endo -45.18 177.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.951 1.767 . . . . 0.0 111.172 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -113.24 128.98 56.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.247 179.425 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.0 p -49.05 -34.2 13.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.056 -178.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.427 ' O ' ' OG1' ' A' ' 99' ' ' THR . 19.3 ttpp -73.63 -35.37 65.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 179.084 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.1 m -65.99 -51.05 61.88 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.648 -179.057 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.87 -44.54 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.603 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 20.3 t80 -59.09 -51.58 69.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.168 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 24.1 m -57.97 -44.95 87.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.241 -179.595 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.08 -50.06 73.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.327 0.584 . . . . 0.0 110.185 179.41 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.4 mm -59.95 -40.24 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.99 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -50.87 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.72 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -57.07 -45.77 83.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.62 -179.049 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.6 tp -59.29 -46.06 89.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.888 -179.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -52.87 -48.31 67.21 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.724 -179.287 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.9 -39.22 84.63 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.428 -178.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 t -61.14 -41.32 96.53 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.918 178.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.0 mt -67.04 -36.49 82.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.068 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.04 -49.48 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.674 -178.068 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -65.57 -47.07 77.04 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.178 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -56.39 -30.25 62.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.115 -179.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.26 19.29 55.64 Favored Glycine 0 N--CA 1.463 0.499 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.077 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.7 mt -77.15 -36.14 55.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.451 -0.875 . . . . 0.0 110.846 179.223 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.24 -179.034 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.952 0.406 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 tpt -58.45 -45.56 88.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.384 -179.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.17 -43.16 92.6 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.555 179.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.39 -48.56 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.649 -179.357 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -55.39 -50.85 68.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.519 1.152 . . . . 0.0 109.961 179.668 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.476 ' O ' ' CE ' ' A' ' 16' ' ' MET . 89.0 t90 -60.45 -58.28 9.15 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 112.499 -2.137 . . . . 0.0 110.968 -179.704 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.54 -45.95 66.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.083 0.468 . . . . 0.0 110.746 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -61.46 -48.72 79.86 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -50.57 -23.34 2.48 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.144 -179.624 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.1 mpp? -107.92 -1.93 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.569 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -88.57 -11.74 44.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.33 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.84 -24.03 63.39 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.513 0.673 . . . . 0.0 109.847 179.271 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -67.88 -39.37 83.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.473 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.462 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 74.4 m-85 -105.65 100.34 9.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.117 -178.83 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.613 ' C ' ' H ' ' A' ' 23' ' ' VAL . 15.7 pt-20 -67.99 -173.02 0.33 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.619 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.0 OUTLIER 60.72 0.1 0.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.534 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.613 ' H ' ' C ' ' A' ' 21' ' ' GLU . 80.3 t -126.09 131.48 71.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.341 -179.519 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 40.2 p-10 -141.87 109.57 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.818 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.3 mt -83.52 92.94 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -98.03 -23.6 15.7 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.702 -1.136 . . . . 0.0 108.825 178.222 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -148.68 -177.91 6.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.197 178.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -103.37 -7.11 21.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.03 0.443 . . . . 0.0 110.262 -179.435 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -105.8 -69.41 0.82 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.2 p -59.93 -44.14 94.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.662 -178.181 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.6 m -72.33 3.81 4.34 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.327 -178.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -115.79 -7.22 12.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.602 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.2 p -55.84 -34.43 65.41 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.491 -178.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 36' ' ' MET . 2.4 t -68.97 -24.6 64.26 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.762 -179.292 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 80.29 -11.05 39.43 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -178.013 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.461 ' H ' ' C ' ' A' ' 34' ' ' SER . 47.3 mmm -63.1 -29.78 71.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.246 179.351 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.33 62.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.543 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.38 -45.95 83.94 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.063 -179.109 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 4.1 m -67.25 -45.28 77.17 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.191 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.72 99.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.143 -178.451 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.21 -45.75 93.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.96 0.409 . . . . 0.0 110.434 -179.046 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mm -65.51 -43.29 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.462 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 66.5 t-80 -55.78 -16.42 4.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.008 0.432 . . . . 0.0 111.265 -178.467 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -71.68 -41.24 68.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.155 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -97.71 -15.02 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.989 -177.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -131.17 92.99 31.35 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.299 -178.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -76.19 -42.98 0.33 Allowed 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.959 1.772 . . . . 0.0 111.977 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -60.82 -14.15 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.33 -68.18 0.2 Allowed 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.903 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -169.61 164.54 10.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.656 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -84.34 97.2 9.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.48 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -61.56 -23.53 66.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 120.872 0.367 . . . . 0.0 111.124 -178.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.57 -18.46 51.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.768 -179.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -83.99 -20.17 33.28 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.8 -172.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.238 -179.094 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -155.79 136.83 9.19 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.097 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -55.43 -25.28 47.67 Favored 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 121.952 1.768 . . . . 0.0 109.768 -179.142 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.39 89.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.373 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.05 57.83 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.471 -179.392 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -71.64 -44.7 63.89 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -52.41 -47.88 66.05 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.324 0.583 . . . . 0.0 110.181 -178.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -67.55 -34.33 76.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.503 179.349 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.527 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 19.2 t-20 -61.29 -43.62 98.57 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.466 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.459 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 41.5 m-85 -66.93 -56.2 11.28 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.7 179.318 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.9 m -51.57 -42.51 61.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.461 ' O ' ' OG1' ' A' ' 70' ' ' THR . 60.5 tp -59.83 -50.09 75.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.191 -179.498 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.74 -39.47 80.99 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.196 -178.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -76.44 -46.88 25.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.125 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.0 m -65.79 -27.86 68.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.765 -179.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 20.4 m -77.24 -51.32 11.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.189 178.451 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.09 77.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.857 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' ASP . 43.7 tp10 -71.15 -49.73 40.84 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.081 0.467 . . . . 0.0 110.627 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.36 -40.99 92.74 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.619 -178.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.98 -43.67 16.14 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -178.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.22 2.92 10.9 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -177.59 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.3 t70 49.34 36.98 10.61 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.747 179.444 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.6 t -49.2 -166.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.645 -178.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.7 172.25 9.39 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.194 179.543 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -127.89 36.2 4.37 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.75 -24.77 67.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.43 -178.246 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mt -114.97 142.65 46.34 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.243 0.544 . . . . 0.0 112.232 -178.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -112.75 132.49 55.2 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.245 178.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.6 t -47.19 -53.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.601 -179.389 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -54.92 -46.26 74.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.287 -178.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.4 -44.62 95.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.9 0.381 . . . . 0.0 110.153 -179.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.459 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 12.6 mtp -61.66 -44.29 97.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.468 0.651 . . . . 0.0 110.079 179.131 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.11 -44.54 95.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.241 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -70.84 -47.18 60.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.776 -179.27 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.51 -50.29 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.451 . . . . 0.0 110.603 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.417 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 59.73 28.28 17.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.23 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 56.1 t -164.06 88.96 1.13 Allowed Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 113.748 -1.569 . . . . 0.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.15 -174.9 1.51 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.937 1.758 . . . . 0.0 111.429 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -121.15 130.47 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.382 179.356 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.6 p -48.88 -31.82 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.928 -178.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.472 ' O ' ' OG1' ' A' ' 99' ' ' THR . 18.1 tptp -73.29 -37.07 66.36 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.443 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.7 m -66.78 -52.36 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.774 -179.209 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.53 -44.09 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 18.8 t80 -59.2 -51.62 69.19 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.151 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.0 m -58.23 -43.86 87.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.25 -179.437 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -61.96 -50.61 71.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.455 0.645 . . . . 0.0 110.342 179.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.4 mm -59.88 -39.89 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.069 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -50.11 -63.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.442 ' OE1' ' O ' ' A' ' 99' ' ' THR . 2.5 mp0 -55.76 -44.16 77.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.598 0.713 . . . . 0.0 109.843 -178.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.87 -42.17 97.58 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.114 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.5 t80 -55.64 -53.0 61.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.159 -177.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -63.44 -33.55 75.8 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.289 -178.319 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.1 m -61.38 -37.5 83.63 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.582 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.11 -41.11 74.43 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.171 0.51 . . . . 0.0 110.926 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.92 -48.11 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -177.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.29 -40.86 98.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -62.58 -29.35 70.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.226 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.74 14.93 51.48 Favored Glycine 0 N--CA 1.465 0.588 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.097 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.93 -46.4 44.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.432 -0.884 . . . . 0.0 111.08 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.466 0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.172 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 121.039 0.447 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' A' ' 8' ' ' MET . 1.4 tmt? -60.14 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.497 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.61 -43.62 96.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.571 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.21 -47.35 86.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.42 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.77 -52.31 66.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.461 1.124 . . . . 0.0 109.91 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -54.63 -59.8 4.21 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 112.824 -1.989 . . . . 0.0 111.202 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.436 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.0 m -54.48 -45.65 73.25 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.087 0.47 . . . . 0.0 110.431 179.523 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -61.22 -50.44 73.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.664 179.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.77 -22.93 39.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.384 -179.092 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.6 mpp? -106.19 0.49 25.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.663 -179.354 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 73.9 m -109.39 -4.05 16.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.054 -179.785 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 20' ' ' TYR . 74.5 mtp85 -64.79 -55.48 19.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.521 0.677 . . . . 0.0 109.808 179.02 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -41.2 -24.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.017 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.5 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 24.5 m-85 -93.23 154.41 18.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.432 179.804 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.7 pm0 -121.26 174.1 6.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 -179.275 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.3 t60 61.11 0.99 0.44 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.407 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.585 ' H ' ' C ' ' A' ' 21' ' ' GLU . 75.9 t -124.14 130.62 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.823 -179.692 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 1.0 OUTLIER -145.81 108.71 4.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.64 179.571 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.7 mt -85.97 92.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.495 0.664 . . . . 0.0 112.492 -178.153 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -97.33 -23.17 16.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.065 178.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -144.92 180.0 6.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.228 178.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.409 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 63.2 m-85 -104.0 -9.3 18.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.101 0.477 . . . . 0.0 110.392 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -108.21 -69.1 0.87 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.709 -177.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.8 t -61.27 -44.19 97.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.281 -178.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.05 0.88 6.58 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.696 -178.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.409 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.5 m95 -113.98 -4.81 13.19 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.649 -179.117 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -61.1 -4.04 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.515 -178.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.4 m -95.34 -27.21 15.57 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.6 0.238 . . . . 0.0 111.608 -179.368 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 80.29 -15.28 18.24 Favored Glycine 0 N--CA 1.459 0.174 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 -178.127 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.498 ' H ' ' C ' ' A' ' 34' ' ' SER . 42.7 mmm -61.85 -26.39 68.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.67 -0.765 . . . . 0.0 110.319 179.87 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.21 45.0 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.923 -179.141 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.17 -46.71 82.55 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.231 -178.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 27.8 p -68.62 -43.47 76.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.796 -179.841 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.429 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.1 -42.77 99.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.218 -178.845 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.36 -43.78 98.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.031 0.443 . . . . 0.0 110.607 -178.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.0 mm -64.58 -42.25 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 179.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.5 ' HD1' ' HH ' ' A' ' 20' ' ' TYR . 52.4 t-80 -56.12 -40.53 73.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 -179.018 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -51.1 -40.22 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.524 0.678 . . . . 0.0 110.745 -178.629 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.0 -45.55 19.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.637 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.8 m-85 -114.82 79.54 5.94 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.312 -177.888 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -47.24 -34.72 18.74 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.727 1.618 . . . . 0.0 111.64 -179.37 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 56.1 mp0 -64.31 -16.7 62.68 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.207 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' PHE . . . -34.25 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.156 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 2.7 p90 -170.16 166.01 9.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.858 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 43.5 t0 -79.64 95.53 5.94 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.782 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -67.27 -23.44 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.142 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.58 -11.96 59.95 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.73 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -92.61 -13.21 29.92 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.615 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.38 146.57 31.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.01 0.433 . . . . 0.0 110.955 -178.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.529 ' C ' ' H ' ' A' ' 58' ' ' ALA . 19.9 m-20 -122.18 143.17 38.44 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.222 -179.578 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.36 -9.12 0.47 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.026 1.817 . . . . 0.0 110.013 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -86.79 -8.85 56.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.978 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -114.66 44.99 1.64 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.953 -178.656 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -64.91 -44.41 89.66 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.551 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -48.66 -54.84 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.222 0.534 . . . . 0.0 110.396 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 66' ' ' LEU . 88.4 m-70 -63.43 -33.24 75.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.637 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.463 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 13.6 t-20 -58.39 -45.57 88.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.151 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.448 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 59.0 m-85 -67.24 -56.8 8.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.367 179.633 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 m -52.95 -43.73 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.129 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 61.9 tp -61.7 -50.05 74.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.2 -179.659 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.02 80.65 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.938 -179.185 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -78.28 -45.92 21.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -63.09 -31.73 72.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -76.06 -48.22 21.67 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.409 178.659 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.12 -34.88 79.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.799 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 76' ' ' ASP . 43.0 tt0 -69.48 -50.1 48.49 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.625 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.48 -40.21 90.47 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.749 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -79.26 -46.22 18.22 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.42 7.83 8.37 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 72' ' ' GLU . 71.6 m-20 49.4 40.51 18.87 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.953 179.362 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.9 t -44.55 -172.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.665 -178.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.63 172.27 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.443 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -124.13 38.73 4.13 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.6 mt -68.5 -28.63 67.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.644 -178.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mt -117.67 142.21 47.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.235 0.54 . . . . 0.0 112.332 -178.173 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.488 ' N ' ' OD2' ' A' ' 85' ' ' ASP . 81.7 mt-10 -110.48 141.79 43.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.29 179.057 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.34 -51.91 58.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.358 -178.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.24 -46.19 72.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.428 -178.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -64.5 -43.55 93.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.1 0.476 . . . . 0.0 110.405 -179.879 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.464 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 5.2 mtp -62.37 -44.57 96.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.577 0.703 . . . . 0.0 109.279 -179.506 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -69.85 -42.03 79.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.913 179.249 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -70.83 -47.0 61.75 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.742 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.93 -50.78 63.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.072 0.463 . . . . 0.0 110.286 -179.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.401 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 61.89 24.51 14.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -177.469 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 54.2 t -162.36 89.32 1.38 Allowed Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.501 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.33 -175.34 1.95 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.909 1.739 . . . . 0.0 111.239 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -117.32 129.55 55.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.182 179.461 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 m -49.38 -33.58 14.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.967 -178.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.439 ' O ' ' OG1' ' A' ' 99' ' ' THR . 64.0 tttp -73.66 -36.22 65.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.563 179.003 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.7 m -66.01 -50.16 65.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.988 0.423 . . . . 0.0 110.691 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.27 -44.9 99.66 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 18.1 t80 -58.16 -50.63 72.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.121 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.9 m -58.37 -42.77 87.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.986 -179.555 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -62.41 -50.34 71.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.308 0.575 . . . . 0.0 110.133 179.435 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.02 -41.36 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.966 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -49.92 -62.78 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.879 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.47 -45.74 88.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.884 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.7 tp -59.59 -45.69 91.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -53.28 -48.09 68.61 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.572 0.701 . . . . 0.0 109.659 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -60.24 -38.13 82.49 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.13 -178.498 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.8 t -60.82 -40.78 94.04 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.854 178.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.28 -37.82 81.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.15 179.518 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.35 -48.64 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.968 -178.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -64.94 -42.01 95.02 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.311 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -64.53 -19.13 65.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.141 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.98 77.38 Favored Glycine 0 N--CA 1.463 0.456 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.2 mt -72.93 -45.58 57.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.838 -0.681 . . . . 0.0 110.982 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.104 -178.981 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.038 0.447 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 tpt -59.79 -49.3 78.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.97 -45.06 87.27 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.365 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.58 -47.5 85.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.696 -179.296 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.04 -51.03 70.9 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 122.644 1.212 . . . . 0.0 109.939 179.624 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -60.75 -62.61 1.73 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 112.386 -2.188 . . . . 0.0 111.543 -179.729 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t -51.55 -45.11 62.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.139 0.495 . . . . 0.0 111.335 179.558 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -58.79 -44.66 90.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.1 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.9 -32.59 46.02 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.466 -179.356 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.1 mmt -88.39 -3.72 58.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.823 -179.536 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.2 m -89.2 -13.66 37.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.501 -179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -65.79 -39.64 91.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.62 0.724 . . . . 0.0 109.675 179.228 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -64.67 -37.57 88.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.376 -1.283 . . . . 0.0 110.222 179.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.457 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 72.4 m-85 -91.54 152.12 20.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.935 -179.424 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.7 pm0 -119.78 172.08 7.95 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.557 -179.576 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.636 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 38.1 t-80 62.38 3.93 1.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.301 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 21' ' ' GLU . 69.3 t -126.95 127.81 70.13 Favored 'Isoleucine or valine' 0 C--O 1.23 0.066 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.743 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.88 111.57 6.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.853 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.2 mt -87.79 84.33 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 112.25 -178.119 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -92.57 -25.19 18.46 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.059 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -143.44 -176.07 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.294 178.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.418 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 64.7 m-85 -108.17 -13.26 14.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.201 0.524 . . . . 0.0 110.456 -179.753 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.4 t -105.87 -71.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.922 -178.344 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.1 t -61.71 -44.45 96.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.303 -178.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.1 m -69.55 1.84 3.7 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.033 -178.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.418 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.2 m95 -114.32 -3.1 13.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.695 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -54.72 -32.97 60.41 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.324 -179.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.586 ' C ' ' H ' ' A' ' 36' ' ' MET . 78.3 p -67.3 -24.94 65.81 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.538 -179.241 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.48 -12.41 5.88 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 -178.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.586 ' H ' ' C ' ' A' ' 34' ' ' SER . 69.8 mtp -65.9 -16.65 64.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.563 -0.818 . . . . 0.0 110.359 179.644 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.3 -49.34 35.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -56.79 -44.08 81.55 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.012 -178.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 91.3 m -70.02 -45.17 67.79 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.243 -179.696 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.1 95.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.657 -178.568 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 45' ' ' PHE . 46.1 tp -66.58 -43.03 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.967 0.413 . . . . 0.0 110.976 -179.006 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.525 ' C ' ' H ' ' A' ' 44' ' ' LYS . 30.4 mm -68.37 -45.67 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.933 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 28.1 t-80 -59.36 -1.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.267 -178.575 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.525 ' H ' ' C ' ' A' ' 42' ' ' ILE . 13.4 tmtt? -83.95 -36.53 23.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.633 -179.078 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -99.13 -17.15 18.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.681 -178.142 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -123.14 99.13 41.03 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.486 -178.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.64 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -75.14 -40.37 0.89 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.814 1.676 . . . . 0.0 111.867 -179.743 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.25 14.68 0.21 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.64 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -77.13 -77.53 0.14 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.752 -179.382 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 27.0 p90 -166.95 160.54 14.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.671 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -84.43 97.15 9.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.711 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -61.55 -22.22 64.97 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.05 -179.342 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.67 -15.89 55.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.568 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -86.93 -20.38 27.43 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.56 -179.649 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.81 150.7 32.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.055 0.455 . . . . 0.0 110.849 -179.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.83 146.25 37.36 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.395 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -50.86 -23.5 11.86 Favored 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 122.057 1.838 . . . . 0.0 109.952 -179.498 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.61 94.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.447 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -82.51 68.98 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.503 -179.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.548 ' O ' ' ND2' ' A' ' 63' ' ' ASN . 14.5 ptm180 -84.7 -47.06 10.84 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 67.6 mtm180 -51.48 -45.61 62.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.302 0.572 . . . . 0.0 110.147 -178.337 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -64.19 -35.37 80.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -60.77 -45.17 95.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.166 0.507 . . . . 0.0 111.167 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD2' ' ND2' ' A' ' 63' ' ' ASN . 53.3 m-85 -65.7 -53.58 38.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.607 -179.518 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 m -57.85 -45.04 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.698 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.58 -48.07 82.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.255 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.7 79.84 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.956 -0.697 . . . . 0.0 110.055 -179.18 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 25.7 m-85 -80.91 -48.45 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.965 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 m -60.95 -29.46 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.64 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.7 m -77.82 -47.23 19.38 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.086 178.591 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -63.25 -33.95 76.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' ASP . 93.4 mt-10 -70.42 -50.47 38.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.212 0.53 . . . . 0.0 110.812 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -62.02 -40.35 95.41 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.848 -179.006 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.44 -37.98 19.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -122.59 -0.93 9.1 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -177.638 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' GLU . 57.3 t0 47.54 36.91 5.73 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.815 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.438 ' HG ' ' H ' ' A' ' 78' ' ' ALA . 3.9 t -50.32 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.724 -178.817 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 103' ' ' GLU . . . -86.51 172.85 10.0 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.165 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -126.98 70.8 1.29 Allowed 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -101.07 -25.7 13.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.57 -178.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -110.35 140.57 44.41 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.171 0.51 . . . . 0.0 111.896 -178.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -115.82 126.17 53.64 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.02 179.047 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.3 t -45.16 -53.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.531 -179.027 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.83 -46.42 71.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.304 -178.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -64.68 -42.83 95.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.939 0.4 . . . . 0.0 110.042 -179.623 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.482 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 4.6 mtp -62.09 -45.27 94.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.574 0.702 . . . . 0.0 109.8 179.113 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.8 t -66.05 -43.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.851 179.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -70.26 -47.41 61.41 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.764 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.71 -49.05 67.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.042 0.449 . . . . 0.0 110.422 -179.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.435 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 59.23 30.19 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -177.224 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 53.6 t -164.78 92.88 0.95 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 113.861 -1.518 . . . . 0.0 109.437 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -73.52 -177.69 3.23 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 C-N-CA 121.994 1.796 . . . . 0.0 111.385 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -119.3 130.25 55.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.219 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 p -48.53 -32.99 8.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.006 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.48 ' O ' ' OG1' ' A' ' 99' ' ' THR . 35.8 tptt -74.03 -36.34 64.42 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.66 178.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.7 m -66.17 -53.53 36.4 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -178.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.93 -44.11 97.3 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 18.9 t80 -58.33 -50.85 72.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.942 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.7 m -58.57 -42.69 88.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.128 -179.581 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -61.3 -51.64 68.02 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.485 0.66 . . . . 0.0 110.4 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.4 mm -60.35 -40.1 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.156 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.36 -60.71 2.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.729 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 78' ' ' ALA . 65.3 mt-10 -59.11 -46.03 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.554 -179.262 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 107' ' ' SER . 22.7 tp -59.45 -46.53 88.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.633 -179.483 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -52.74 -47.42 67.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.507 0.67 . . . . 0.0 109.663 -179.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.16 -41.86 97.52 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.955 -178.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 104' ' ' LEU . 86.0 p -59.49 -38.75 81.69 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.899 179.145 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.76 -39.92 95.45 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.834 179.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.13 -46.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.429 -178.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.8 -51.5 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.413 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.68 -25.03 59.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.201 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.89 21.14 63.96 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.294 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.9 mt -72.01 -44.19 63.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.393 -0.904 . . . . 0.0 111.031 179.124 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.177 -179.418 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.132 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -57.38 -30.48 88.05 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 C-N-CA 122.082 1.855 . . . . 0.0 109.718 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -86.76 -61.5 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.22 153.62 30.42 Favored Glycine 0 N--CA 1.463 0.461 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 m -85.65 -66.99 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.977 0.418 . . . . 0.0 110.469 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -49.41 -36.31 21.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.5 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.96 -41.12 97.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.8 OUTLIER -61.64 -48.53 80.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.257 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.35 -42.55 87.94 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.89 -48.14 81.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.651 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.85 -47.89 79.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.563 1.173 . . . . 0.0 109.886 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -63.68 -61.58 2.22 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 112.426 -2.17 . . . . 0.0 111.201 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 m -51.53 -44.52 62.65 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.008 0.432 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' THR . 52.2 ttt-85 -60.72 -45.67 93.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.228 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.77 -27.54 3.04 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.109 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.4 mmt -91.3 -15.58 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.382 . . . . 0.0 110.656 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ARG . 71.2 m -75.69 -17.87 59.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.462 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.94 -37.67 84.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.618 0.723 . . . . 0.0 109.807 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -64.54 -38.52 91.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.363 -1.289 . . . . 0.0 110.207 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.563 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 65.0 m-85 -99.53 161.94 13.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.851 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' A' ' 23' ' ' VAL . 57.8 mp0 -123.29 178.25 5.22 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.755 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.615 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 47.7 t-80 62.47 4.4 1.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.509 ' H ' ' C ' ' A' ' 21' ' ' GLU . 94.6 t -123.67 128.33 74.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.759 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 40.5 p-10 -137.08 106.02 5.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.742 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.6 mt -87.87 80.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.567 0.699 . . . . 0.0 112.308 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.516 ' H ' ' HG ' ' A' ' 31' ' ' SER . 87.8 mt-30 -104.32 -0.58 28.05 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.232 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 26' ' ' GLN . 33.4 m120 -162.32 173.76 13.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.292 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -105.57 -12.63 15.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.97 0.414 . . . . 0.0 110.37 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -106.45 -71.39 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.755 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.2 m -60.96 -44.53 97.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.149 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.516 ' HG ' ' H ' ' A' ' 26' ' ' GLN . 21.3 m -68.32 0.77 3.5 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.822 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -114.65 -3.61 12.86 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.682 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -56.73 -19.16 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.469 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.575 ' C ' ' H ' ' A' ' 36' ' ' MET . 6.5 m -82.09 -22.71 36.15 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.584 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 74.71 -12.48 6.09 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.604 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 94.2 mtp -65.0 -20.04 66.3 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.675 -0.763 . . . . 0.0 110.079 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.4 -48.84 47.31 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.639 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -57.05 -41.99 79.72 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.015 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 21.1 p -71.25 -45.0 64.2 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.06 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.565 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.51 -42.96 99.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.526 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.19 -43.49 98.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 110.659 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.8 mm -67.63 -43.47 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.408 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.563 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 34.5 t-80 -56.66 -14.3 3.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.996 0.427 . . . . 0.0 111.341 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -71.45 -39.74 70.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.858 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.88 -14.83 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.912 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -127.02 99.28 28.94 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.293 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -75.65 -36.74 2.03 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.959 1.773 . . . . 0.0 111.737 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -66.91 -16.69 64.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.8 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.124 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 6.7 p90 -168.82 162.99 11.71 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.711 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -80.64 97.62 7.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.58 -25.48 67.35 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.884 0.373 . . . . 0.0 111.056 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.88 -12.84 60.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.751 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -94.54 -10.67 31.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.654 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.56 154.01 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.088 0.471 . . . . 0.0 110.965 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -131.22 165.0 38.44 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.113 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -76.86 -1.27 11.4 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.351 2.034 . . . . 0.0 109.977 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.18 -44.05 60.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.289 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 19.4 ptmt -97.46 63.58 1.79 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.726 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -65.07 -42.21 94.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -52.72 -47.96 66.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.699 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -66.65 -35.86 81.17 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 16.4 t-20 -60.7 -42.08 96.47 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.542 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.531 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.8 m-85 -68.89 -53.84 18.9 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.687 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.1 m -56.64 -43.27 80.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.448 ' O ' ' OG1' ' A' ' 70' ' ' THR . 65.4 tp -61.88 -49.48 76.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.61 -39.41 80.36 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.899 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 41.7 m-85 -79.81 -49.43 12.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.249 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 m -61.09 -30.39 70.32 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 24.0 m -75.78 -50.47 15.11 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.295 178.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -62.78 -31.17 72.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' ASP . 74.6 tt0 -70.04 -51.89 28.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.112 0.482 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.56 -38.93 91.98 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.988 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.38 -38.92 19.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -124.43 1.26 8.34 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 72' ' ' GLU . 59.7 t0 48.34 37.24 8.24 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.839 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 76' ' ' ASP . 18.6 p -47.06 -167.87 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.546 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.42 172.86 9.07 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.306 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -124.37 40.87 3.63 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.987 0.422 . . . . 0.0 109.872 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.28 -28.8 64.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.662 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.8 mt -112.05 143.15 43.54 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 121.198 0.523 . . . . 0.0 112.26 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -113.8 131.06 56.37 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.144 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.7 t -49.23 -53.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.719 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -54.54 -45.04 73.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.305 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -62.01 -44.44 96.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.93 0.395 . . . . 0.0 110.212 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.531 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 9.2 mtp -60.89 -43.56 98.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.083 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.63 -44.69 98.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -71.77 -48.62 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.565 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.86 -51.66 63.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.037 0.446 . . . . 0.0 110.5 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.407 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 59.13 28.84 18.25 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 55.8 t -163.51 92.64 1.12 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 113.788 -1.551 . . . . 0.0 109.423 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.03 -178.49 3.58 Favored 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 121.939 1.76 . . . . 0.0 111.39 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -117.95 131.23 56.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.458 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.3 m -48.45 -33.72 9.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.946 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -74.18 -34.64 63.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.429 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.9 m -67.78 -52.92 31.49 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.068 0.461 . . . . 0.0 110.745 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.26 -44.17 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.463 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 19.6 t80 -60.89 -50.92 71.47 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.097 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.43 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 86.5 m -59.66 -42.93 93.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.694 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -61.13 -50.88 71.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.505 0.669 . . . . 0.0 110.028 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.4 mm -59.85 -38.04 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.119 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -53.6 -57.32 11.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' A' ' 99' ' ' THR . 1.6 mp0 -60.34 -46.18 90.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.588 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.5 tp -60.38 -44.69 95.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.638 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -53.24 -48.53 68.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.573 0.701 . . . . 0.0 109.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.65 -44.45 93.54 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.106 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.7 t -57.41 -40.83 79.12 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.836 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.02 -39.45 94.8 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.72 -47.14 94.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.436 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.67 -52.83 58.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -53.99 -26.13 24.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.215 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.36 20.39 64.52 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 mt -72.31 -45.03 61.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.48 -0.86 . . . . 0.0 111.101 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.52 -32.71 58.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.242 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.47 59.74 3.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.92 0.39 . . . . 0.0 110.102 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.8 m -84.25 -48.54 9.66 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.391 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -141.13 126.98 19.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.36 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.462 ' H ' ' CD ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -73.27 160.94 31.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.217 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.446 -179.479 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -71.17 142.49 41.93 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.271 1.981 . . . . 0.0 110.344 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 5' ' ' SER . 58.3 mt -104.9 -13.13 15.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.531 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.7 68.64 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 3' ' ' LEU . 8.8 t -62.15 -54.38 41.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 110.401 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.22 -7.39 12.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.639 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -63.09 -36.95 85.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.97 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 tpt -60.64 -46.46 90.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.284 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.45 -43.58 98.48 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.353 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.67 -48.03 82.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.812 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -58.74 -52.37 65.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.661 1.22 . . . . 0.0 110.233 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -58.16 -63.75 1.16 Allowed 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 112.212 -2.267 . . . . 0.0 111.435 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.492 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.8 t -51.86 -50.08 61.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.122 0.487 . . . . 0.0 111.067 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -54.9 -44.58 74.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.36 -31.25 61.6 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.777 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.0 -29.07 14.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.169 -178.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.497 ' H ' ' HG1' ' A' ' 17' ' ' THR . 0.2 OUTLIER -81.98 -12.41 58.36 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.709 0.63 . . . . 0.0 111.15 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -62.15 -61.19 2.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.708 0.766 . . . . 0.0 109.064 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -47.37 -23.48 0.59 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.883 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.503 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 26.7 m-85 -90.99 103.38 16.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.663 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.601 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -68.02 174.39 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.612 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 17.0 t-80 63.5 -1.59 0.57 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.925 0.869 . . . . 0.0 108.719 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.601 ' H ' ' C ' ' A' ' 21' ' ' GLU . 67.1 t -128.74 129.46 68.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.198 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' O ' ' OG ' ' A' ' 31' ' ' SER . 67.7 t0 -152.28 110.95 3.78 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.565 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.83 105.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.629 0.728 . . . . 0.0 112.96 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.584 ' H ' ' HG ' ' A' ' 31' ' ' SER . 62.2 tt0 -105.77 -11.08 16.4 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.493 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.536 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 11.5 t-20 -172.76 -173.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.32 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 50.6 m-85 -103.68 -13.2 16.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.063 0.459 . . . . 0.0 110.379 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -105.99 -71.15 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.806 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -59.94 -43.81 94.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.484 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.584 ' HG ' ' H ' ' A' ' 26' ' ' GLN . 7.2 t -71.91 0.07 10.13 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.103 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.422 ' C ' ' H ' ' A' ' 34' ' ' SER . 33.3 m95 -112.26 -6.2 14.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.817 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.8 m -63.74 0.02 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.31 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.505 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.9 m -96.37 -25.86 15.57 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.599 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.517 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 79.24 -14.8 13.77 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 108.922 -1.671 . . . . 0.0 108.922 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.505 ' H ' ' C ' ' A' ' 34' ' ' SER . 63.1 mmm -61.95 -28.98 69.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.538 -0.831 . . . . 0.0 110.071 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.44 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.684 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -56.98 -47.13 81.5 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.273 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 88.3 m -67.6 -44.81 77.17 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.55 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.761 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.5 tp -65.0 -42.12 94.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.05 0.452 . . . . 0.0 110.878 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.88 -44.36 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.588 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.503 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 34.9 t-80 -57.5 -14.33 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.977 0.418 . . . . 0.0 111.246 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -70.31 -39.99 74.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.507 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -102.81 -12.27 17.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.766 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -128.73 94.75 33.99 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.296 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.93 -36.69 2.46 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.809 1.672 . . . . 0.0 111.528 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.77 -14.2 60.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.36 -75.82 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.16 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.422 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 7.9 p90 -168.48 162.8 12.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.607 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -84.21 96.98 9.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 38.6 t80 -60.13 -21.29 61.4 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.93 -16.74 52.69 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.647 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -90.38 -17.51 27.14 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.608 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -80.07 152.15 29.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 111.266 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 1.9 p30 -122.56 162.64 37.17 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.333 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.27 -13.32 20.91 Favored 'Trans proline' 0 N--CA 1.49 1.275 0 C-N-CA 122.189 1.926 . . . . 0.0 110.01 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.47 77.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.342 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -92.25 56.16 2.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.329 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 20.3 ptp180 -67.62 -43.03 81.4 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 83.2 mtp180 -51.52 -46.67 63.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.262 0.553 . . . . 0.0 110.276 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -67.67 -33.33 74.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.598 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 23.9 t30 -61.31 -42.69 99.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.184 0.516 . . . . 0.0 110.56 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.49 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 47.3 m-85 -68.89 -52.54 28.49 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.652 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.0 m -55.2 -43.31 74.29 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 70' ' ' THR . 45.0 tp -60.47 -47.42 86.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.902 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.0 82.27 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.972 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -80.7 -49.65 10.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.974 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.2 p -62.4 -30.79 71.46 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 28.6 m -78.08 -46.92 19.49 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.424 178.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.04 79.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 33.4 tp10 -70.52 -49.63 46.27 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.739 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -60.63 -39.83 89.69 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.476 -0.889 . . . . 0.0 110.894 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.24 -45.99 17.03 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.68 5.96 10.0 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 78.8 m-20 48.17 34.34 4.32 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.958 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.457 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.7 t -48.82 -166.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.811 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.24 171.77 10.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.26 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -130.89 40.7 3.45 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.28 -25.25 66.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.598 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mt -112.97 142.93 45.1 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.17 0.509 . . . . 0.0 112.26 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -112.31 132.57 54.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.051 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.9 t -49.29 -54.16 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.899 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -55.27 -46.42 76.15 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.375 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -58.93 -45.5 90.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.868 0.366 . . . . 0.0 110.369 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.0 mtp -62.55 -43.35 99.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.427 0.632 . . . . 0.0 109.859 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.84 -46.84 95.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.07 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -71.0 -47.15 60.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.997 0.427 . . . . 0.0 111.421 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.51 -51.54 62.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.074 0.464 . . . . 0.0 110.392 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 58.65 26.69 14.83 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -177.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 72.5 t -162.09 89.96 1.41 Allowed Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 113.784 -1.553 . . . . 0.0 109.534 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -72.5 -173.14 1.06 Allowed 'Trans proline' 0 N--CA 1.488 1.183 0 C-N-CA 121.975 1.783 . . . . 0.0 111.46 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.35 130.97 55.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.208 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.8 m -48.2 -34.36 9.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.035 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' O ' ' OG1' ' A' ' 99' ' ' THR . 63.5 pttt -77.79 -31.01 51.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.695 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.9 m -66.29 -53.7 33.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.643 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.06 -43.02 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.456 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 21.5 t80 -58.57 -50.86 72.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.839 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.4 m -58.52 -44.22 89.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.124 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -61.67 -51.41 68.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.503 0.668 . . . . 0.0 110.324 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.97 -37.71 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.011 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -55.19 -56.86 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.707 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -59.43 -46.27 89.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.714 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.95 -45.23 93.32 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -54.36 -48.66 71.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.51 0.671 . . . . 0.0 109.943 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -60.21 -42.68 95.68 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.976 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.7 t -58.95 -40.73 85.58 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.758 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.08 -40.76 96.9 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.987 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.39 -46.76 95.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.728 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -61.46 -49.91 74.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.67 -18.33 53.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.24 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.61 20.93 75.95 Favored Glycine 0 N--CA 1.464 0.563 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 mt -72.96 -44.77 60.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.368 -0.916 . . . . 0.0 111.171 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.75 -34.77 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.278 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -81.0 52.91 1.86 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.237 0.542 . . . . 0.0 110.187 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -90.28 -3.86 57.52 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.242 -179.373 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.91 52.09 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.557 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' THR . 5.6 mtpm? -126.6 150.26 48.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.074 0.464 . . . . 0.0 109.823 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 51.3 tptt . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.355 -179.742 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.531 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 2.7 Cg_endo -69.7 -31.18 21.3 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.169 1.913 . . . . 0.0 110.357 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 mt -80.91 -43.79 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.802 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.36 64.24 3.27 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -68.23 -63.87 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.624 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -100.07 1.02 41.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.484 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -65.1 -39.97 93.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.044 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -58.87 -47.49 84.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.377 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.37 -44.01 88.95 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.04 -46.94 88.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.525 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -56.72 -48.15 78.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.591 1.186 . . . . 0.0 110.129 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -64.01 -62.31 1.71 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 112.26 -2.245 . . . . 0.0 111.053 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -51.32 -45.8 62.37 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.8 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.504 ' O ' ' OG1' ' A' ' 17' ' ' THR . 61.4 ttt-85 -60.41 -45.49 93.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.67 0.748 . . . . 0.0 110.38 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.18 -25.99 4.16 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.279 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.5 mmt -88.77 -23.83 22.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 14' ' ' ARG . 68.9 p -70.0 -15.17 62.98 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.39 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -64.82 -43.41 93.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 109.533 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.32 -37.32 87.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.072 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.535 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 79.7 m-85 -94.84 155.4 16.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.941 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 23' ' ' VAL . 99.7 mt-10 -118.64 173.29 6.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.717 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.634 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 37.5 t-80 63.21 6.81 2.51 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' H ' ' C ' ' A' ' 21' ' ' GLU . 79.6 t -122.87 125.38 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.855 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 78.8 m-20 -142.92 105.27 4.44 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.668 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.15 99.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.651 0.739 . . . . 0.0 112.833 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -97.72 -27.46 14.33 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.847 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 65.0 t30 -152.8 -170.88 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.52 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 44.7 m-85 -104.32 -8.77 19.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.006 0.432 . . . . 0.0 110.325 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 30' ' ' SER . 88.2 p -106.78 -70.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.806 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.415 ' N ' ' OG ' ' A' ' 29' ' ' SER . 11.8 t -61.55 -43.53 98.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.341 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.65 0.5 6.81 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.808 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -114.25 -4.29 13.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.618 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.3 m -63.23 -6.04 4.0 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.234 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 36' ' ' MET . 23.9 m -93.29 -25.88 17.56 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.525 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 80.38 -15.49 17.86 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.881 -1.688 . . . . 0.0 108.881 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.591 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 27.2 mtt -61.84 -28.86 69.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.518 -0.841 . . . . 0.0 110.192 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.66 -50.26 58.72 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.647 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.62 -45.01 90.12 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.122 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 12.2 m -69.22 -46.95 66.13 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.0 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.518 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -62.79 -42.42 99.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.368 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.5 -43.86 96.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.935 0.398 . . . . 0.0 110.769 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.485 ' C ' ' H ' ' A' ' 44' ' ' LYS . 2.9 mm -67.73 -43.47 86.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.793 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.535 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 43.7 t-80 -57.7 -5.64 0.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.288 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 42' ' ' ILE . 3.7 tmtt? -85.31 -35.9 21.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.349 0.595 . . . . 0.0 111.256 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -86.58 -36.4 18.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.876 -178.159 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -121.87 105.48 37.81 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.485 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.635 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -72.96 -34.49 6.44 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.929 1.753 . . . . 0.0 111.731 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -72.52 14.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.635 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -73.55 -76.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.559 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.506 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.5 p90 -168.73 162.39 11.62 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.784 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -83.24 97.91 9.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.63 -21.69 66.5 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.889 0.376 . . . . 0.0 110.995 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.54 -15.14 58.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.709 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -90.48 -11.79 39.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.4 mt -85.62 150.37 24.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.81 167.22 16.6 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.191 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -75.25 -6.56 18.04 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 122.236 1.957 . . . . 0.0 110.012 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.14 -46.19 52.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -94.23 60.96 2.81 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.423 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -67.78 -45.98 73.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -50.69 -51.9 45.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.257 0.551 . . . . 0.0 110.421 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -61.16 -34.15 74.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.763 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 26.7 t30 -62.09 -42.01 98.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.519 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 47.0 m-85 -69.05 -54.03 17.29 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.695 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.5 m -53.61 -42.55 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.7 -48.4 81.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.066 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.65 82.24 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.136 -0.625 . . . . 0.0 109.883 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -79.08 -51.54 9.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 t -61.29 -28.16 68.99 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.011 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.9 m -78.15 -46.93 19.32 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.262 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.57 78.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.99 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 92.1 mt-10 -71.19 -50.78 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.044 0.449 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -58.91 -39.44 81.54 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.791 -0.764 . . . . 0.0 110.759 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -79.4 -50.02 11.46 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.7 7.23 11.63 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.4 t70 47.76 37.48 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.022 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 76' ' ' ASP . 8.4 m -49.28 -166.15 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.499 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.94 171.18 10.98 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.341 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -127.32 40.31 3.73 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.04 -27.0 67.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.687 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.9 mt -113.3 142.28 46.02 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.196 0.522 . . . . 0.0 112.356 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -113.05 134.31 54.58 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.983 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -50.27 -54.23 9.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.811 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 20.0 p30 -53.49 -44.7 69.26 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.491 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.58 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 98.2 m-20 -62.42 -43.57 98.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.084 0.469 . . . . 0.0 110.176 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.506 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 5.8 mtp -60.22 -43.02 96.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.118 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.65 -45.75 98.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.117 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -72.91 -50.96 20.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.925 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.19 -58.17 9.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.306 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.03 26.51 15.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' A' ' 92' ' ' PRO . 77.7 t -160.91 60.37 1.28 Allowed Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.795 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.485 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.6 Cg_endo -45.29 179.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.013 1.809 . . . . 0.0 111.332 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -114.27 129.8 56.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.312 0.577 . . . . 0.0 110.388 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -48.69 -32.96 9.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.897 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.482 ' O ' ' OG1' ' A' ' 99' ' ' THR . 23.8 pttm -77.08 -31.51 56.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.446 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.4 m -67.15 -54.79 18.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.53 -43.72 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -57.75 -51.43 69.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.322 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 15.9 m -57.92 -43.21 86.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.034 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -61.59 -49.78 75.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.436 0.636 . . . . 0.0 110.084 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 105' ' ' TYR . 28.0 mm -62.16 -41.98 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.935 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -47.42 -68.07 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 104' ' ' LEU . 1.3 pp20? -56.75 -44.3 81.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.844 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.544 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 15.3 tp -60.8 -46.29 91.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.464 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.466 ' N ' ' O ' ' A' ' 101' ' ' ILE . 85.5 t80 -52.48 -47.36 66.59 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.56 0.695 . . . . 0.0 109.568 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -60.85 -40.15 91.77 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.017 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.9 m -59.83 -39.09 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.954 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.2 mt -69.45 -37.32 77.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.241 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.52 -47.8 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.765 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -65.7 -43.87 87.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -61.03 -25.41 66.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.311 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.61 19.19 58.74 Favored Glycine 0 N--CA 1.464 0.545 0 N-CA-C 109.791 -1.323 . . . . 0.0 109.791 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.25 -41.24 49.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.515 -0.843 . . . . 0.0 110.976 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -63.4 -36.22 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.262 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -107.2 107.51 18.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.859 0.361 . . . . 0.0 110.453 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.52 -44.66 4.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.211 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -138.66 124.61 19.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.342 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.401 ' O ' ' OXT' ' A' ' 119' ' ' LYS . 26.5 ttpt -81.12 149.82 29.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.009 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.401 ' OXT' ' O ' ' A' ' 118' ' ' LYS . 4.7 mmtp . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.814 -1.088 . . . . 0.0 110.599 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -70.21 -21.64 31.13 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.28 1.987 . . . . 0.0 110.153 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 mt -87.67 -25.11 23.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.659 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.15 41.02 18.67 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -66.52 -62.51 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.404 . . . . 0.0 110.823 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -72.29 -9.75 58.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.815 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.42 -40.54 94.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.734 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.8 tpt -61.03 -46.2 91.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.441 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.44 -42.93 95.72 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.513 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.83 -46.17 90.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.337 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -57.7 -49.81 75.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.675 1.226 . . . . 0.0 109.882 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -63.06 -64.75 0.82 Allowed 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 112.495 -2.139 . . . . 0.0 111.215 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.49 -48.85 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.031 0.443 . . . . 0.0 111.225 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.46 -49.53 76.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.344 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.62 -16.55 0.65 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.262 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.3 mtt -114.7 -1.37 13.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.84 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.13 -13.7 16.69 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.158 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' TYR . 52.9 ttt180 -59.99 -64.58 0.9 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.586 0.708 . . . . 0.0 109.388 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.547 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 2.9 p-10 -45.68 -24.34 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.62 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.524 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 39.6 m-85 -90.61 98.77 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.526 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.64 ' C ' ' H ' ' A' ' 23' ' ' VAL . 53.0 mp0 -68.87 176.99 2.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.591 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 23.0 t-80 61.45 -1.99 0.27 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.64 ' H ' ' C ' ' A' ' 21' ' ' GLU . 58.9 t -126.16 130.65 72.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.121 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -145.38 107.31 4.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.1 mt -86.96 87.66 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.553 0.692 . . . . 0.0 112.727 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -92.65 -22.39 19.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.107 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.586 ' ND2' ' H ' ' A' ' 29' ' ' SER . 45.5 t30 -148.25 -176.13 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.836 -1.074 . . . . 0.0 108.105 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.516 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 58.1 m-85 -106.2 -11.89 15.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.884 0.373 . . . . 0.0 110.431 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.586 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 50.3 m -105.05 -72.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.643 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.402 ' C ' ' H ' ' A' ' 32' ' ' TRP . 72.9 p -61.87 -43.22 99.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.084 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 1.17 3.24 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.776 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.41 ' C ' ' H ' ' A' ' 34' ' ' SER . 27.0 m95 -113.03 -2.25 14.26 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.418 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.9 t -63.35 -1.71 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.253 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.544 ' C ' ' H ' ' A' ' 36' ' ' MET . 93.1 p -94.13 -25.68 17.04 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.08 -14.48 10.99 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -178.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.591 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 29.8 mtt -66.16 -27.98 68.43 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.567 -0.816 . . . . 0.0 110.274 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.94 -51.43 61.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.291 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -57.5 -36.92 72.15 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.933 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.534 ' HG ' ' CG ' ' A' ' 63' ' ' ASN . 86.2 m -78.16 -45.6 22.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.056 0.455 . . . . 0.0 111.449 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.81 97.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.663 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 tp -62.3 -44.74 95.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.801 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' C ' ' H ' ' A' ' 44' ' ' LYS . 30.5 mm -66.11 -43.39 92.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.598 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.524 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 28.5 t-80 -53.92 -9.86 0.27 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.387 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 42' ' ' ILE . 4.6 tmtm? -84.74 -35.52 22.41 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.454 0.645 . . . . 0.0 111.238 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -84.43 -39.62 18.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.947 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -124.83 104.17 30.47 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.303 -178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.4 Cg_exo -71.57 -30.67 14.61 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.902 1.735 . . . . 0.0 111.813 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.48 5.12 2.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -64.66 -74.07 0.11 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.835 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.408 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.8 p90 -168.84 162.5 11.43 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.658 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -83.54 95.14 8.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -58.39 -21.41 50.24 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.934 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.84 -17.65 43.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.306 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -85.49 -21.6 28.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.38 151.11 36.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.15 165.91 18.97 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.321 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.16 -13.49 21.07 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.285 1.99 . . . . 0.0 110.212 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.4 -42.54 78.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.433 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -89.45 69.45 7.98 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.97 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -74.54 -52.15 12.68 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.456 -0.497 . . . . 0.0 112.158 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -50.96 -47.4 61.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.266 0.555 . . . . 0.0 110.317 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -63.83 -33.8 76.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.102 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.534 ' CG ' ' HG ' ' A' ' 39' ' ' CYS . 42.1 t30 -61.95 -42.63 99.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 45.4 m-85 -69.74 -51.8 31.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.785 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -54.93 -42.09 71.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.402 ' O ' ' OG1' ' A' ' 70' ' ' THR . 52.3 tp -59.53 -49.01 79.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.012 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.65 79.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.071 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.81 -55.64 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.989 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -58.67 -29.6 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 92.9 m -75.83 -48.98 19.32 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.279 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.65 70.75 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 64.2 mm-40 -70.97 -53.3 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.907 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.57 -37.27 80.75 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.495 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.9 mt -76.16 -51.43 12.16 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.33 11.08 8.05 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' GLU . 27.8 t70 46.4 38.85 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.957 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' ASP . 63.9 m -50.03 -164.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.496 -178.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.74 171.48 10.39 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.333 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -132.76 41.95 3.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.159 0.504 . . . . 0.0 109.766 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.99 -23.43 66.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.434 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 mt -116.76 141.82 47.71 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.183 0.516 . . . . 0.0 112.099 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -109.93 133.37 53.25 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.362 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.3 t -47.89 -52.71 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.506 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -55.89 -44.93 78.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.106 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.37 -44.33 97.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.942 0.401 . . . . 0.0 110.291 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.495 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 8.1 mtp -61.72 -42.69 99.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.482 0.658 . . . . 0.0 109.63 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.08 -44.11 95.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.075 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -71.63 -47.88 51.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.585 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.91 -50.34 64.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.065 0.46 . . . . 0.0 110.624 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 60.08 28.04 17.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 54.8 t -163.47 94.59 1.08 Allowed Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 113.902 -1.499 . . . . 0.0 109.405 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -72.04 178.31 6.1 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.741 1.627 . . . . 0.0 111.477 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.99 131.97 54.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.534 0.683 . . . . 0.0 110.279 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.8 p -50.57 -37.43 39.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.889 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' OG1' ' A' ' 99' ' ' THR . 17.7 ptpt -77.81 -29.67 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.468 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.2 m -66.46 -53.05 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.352 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.9 -44.75 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 20.4 t80 -58.55 -51.07 71.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.122 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 27.0 m -58.41 -43.59 88.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.271 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.09 -50.63 72.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.359 0.6 . . . . 0.0 110.225 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' TYR . 26.6 mm -61.18 -40.69 86.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.155 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -51.25 -61.77 2.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.777 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.68 -46.24 89.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.801 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.436 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 39.6 tp -60.33 -46.0 91.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.657 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' ILE . 87.3 t80 -52.29 -46.22 65.83 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.633 0.73 . . . . 0.0 109.472 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -62.74 -37.86 88.26 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.019 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.9 m -60.0 -38.54 82.92 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.836 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.8 mt -70.52 -38.25 74.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.56 -48.64 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.75 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -63.38 -41.8 98.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -60.5 -27.83 67.89 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.74 17.04 60.56 Favored Glycine 0 N--CA 1.462 0.424 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.84 -55.96 5.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.446 -0.877 . . . . 0.0 111.007 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.3 t -66.87 -38.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.527 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -76.3 71.22 2.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.499 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 96.6 m -71.14 -50.16 36.42 Favored 'General case' 0 N--CA 1.46 0.067 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.527 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -141.8 73.92 1.43 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.975 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -105.77 141.71 36.75 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.52 -179.845 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -69.95 -27.2 25.84 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.291 1.994 . . . . 0.0 110.493 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.2 -6.17 59.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.162 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.17 63.92 0.54 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -68.91 -45.38 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.932 0.396 . . . . 0.0 111.183 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -100.7 0.14 38.45 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.642 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -66.49 -40.48 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.242 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.0 tpt -57.19 -49.4 76.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.287 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.98 -44.11 90.4 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.18 0.515 . . . . 0.0 110.644 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.09 -46.9 88.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.548 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.75 -53.7 54.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.532 1.158 . . . . 0.0 109.776 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -54.2 -60.33 3.48 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.384 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' THR . 6.3 t -54.17 -47.09 72.38 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.956 0.407 . . . . 0.0 110.792 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -59.15 -46.87 87.23 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.483 0.659 . . . . 0.0 110.654 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 -23.94 50.01 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.457 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.5 mtm -119.07 -4.38 10.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.155 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' CYS . 97.0 m -107.2 -11.04 15.69 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.516 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' C ' ' N ' ' A' ' 20' ' ' TYR . 62.0 ttm-85 -70.45 -48.91 53.67 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.466 0.65 . . . . 0.0 109.281 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -47.54 -22.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.773 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.54 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 27.5 m-85 -88.88 107.68 19.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.957 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.567 ' C ' ' H ' ' A' ' 23' ' ' VAL . 47.2 mp0 -68.97 172.09 7.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.553 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.565 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 23.5 t-80 63.52 -0.98 0.63 Allowed 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.567 ' H ' ' C ' ' A' ' 21' ' ' GLU . 57.4 t -128.94 129.68 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.947 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 30.4 p-10 -148.56 110.37 4.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.487 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.97 103.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.549 0.69 . . . . 0.0 112.762 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.536 ' H ' ' CB ' ' A' ' 31' ' ' SER . 57.5 tt0 -104.08 -14.68 15.81 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.937 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.45 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 58.9 t30 -175.45 -169.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.344 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 57.4 m-85 -101.3 -11.21 19.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.022 0.439 . . . . 0.0 110.439 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.4 m -108.48 -68.33 0.92 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.378 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -60.06 -44.73 94.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.072 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.536 ' CB ' ' H ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -71.71 0.84 7.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.775 -178.849 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -115.49 -7.69 12.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.629 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -56.61 -24.75 50.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.411 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.2 m -76.35 -22.91 54.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.537 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.17 -11.43 23.1 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 108.712 -1.755 . . . . 0.0 108.712 -178.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.496 ' H ' ' C ' ' A' ' 34' ' ' SER . 57.8 mmm -63.56 -29.8 71.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.491 -0.855 . . . . 0.0 110.193 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.51 -53.2 58.35 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.837 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.39 -45.65 84.26 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.109 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.51 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 7.0 m -65.57 -46.35 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.165 0.507 . . . . 0.0 111.113 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.09 98.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.319 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.7 -44.4 96.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.4 HG21 HD11 ' A' ' 42' ' ' ILE . 30.6 mm -66.25 -43.95 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.529 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.54 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 28.1 t-80 -56.16 -12.43 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.461 . . . . 0.0 111.267 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -79.17 -38.64 35.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.689 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -83.26 -37.92 22.87 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -123.42 106.76 32.58 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.471 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -71.84 -29.34 15.55 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 121.912 1.741 . . . . 0.0 111.943 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -68.04 -16.07 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.69 -77.67 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.167 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -169.68 162.96 9.95 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.54 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -83.0 95.14 7.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.052 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 26.9 t80 -61.04 -20.71 62.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.29 -17.62 51.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.583 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -87.55 -14.52 39.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.589 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.9 mt -81.14 149.83 28.97 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.221 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 58' ' ' ALA . 71.9 m-20 -124.78 145.78 50.86 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.23 -11.43 1.08 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.91 1.74 . . . . 0.0 110.161 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.92 -43.45 68.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.012 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.06 75.97 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.137 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -83.14 -49.57 9.35 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -51.11 -45.57 61.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.245 0.545 . . . . 0.0 110.107 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.36 -34.72 77.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.643 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 29.0 t30 -61.2 -42.22 98.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.799 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.503 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 54.9 m-85 -69.45 -54.02 16.36 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.816 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.6 m -56.01 -42.62 76.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.47 -47.65 84.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.847 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.14 78.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.266 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -82.48 -48.79 10.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.779 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.9 p -63.31 -31.08 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.704 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -76.33 -50.27 14.71 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.44 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.451 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -65.23 -31.66 72.93 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.557 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 79.5 tt0 -69.96 -50.27 43.52 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.773 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -62.83 -35.99 81.72 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.4 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.0 mt -76.81 -47.3 21.89 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.01 9.2 8.09 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 97.1 m-20 47.03 37.63 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.939 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.5 m -49.38 -164.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.615 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.03 169.02 13.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.493 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.76 37.4 3.96 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.065 0.459 . . . . 0.0 110.055 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.54 -21.84 64.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.49 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -110.59 142.62 42.17 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.11 0.481 . . . . 0.0 112.002 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -114.45 131.99 56.42 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.377 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.2 t -48.93 -54.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.686 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -54.39 -45.97 73.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.445 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.35 -44.89 95.12 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.503 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 12.8 mtp -62.72 -44.2 96.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.476 0.655 . . . . 0.0 109.753 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.2 t -69.03 -42.34 82.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.077 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -71.46 -47.04 58.23 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.54 -51.41 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.459 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 66.48 21.24 10.83 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.9 t -162.93 92.59 1.2 Allowed Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 113.707 -1.588 . . . . 0.0 109.445 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -71.95 179.91 4.44 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 C-N-CA 121.783 1.655 . . . . 0.0 111.404 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -113.19 128.77 56.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.194 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.9 m -49.37 -33.95 14.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.023 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -72.81 -36.34 67.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 30.0 m -67.02 -42.51 84.78 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.388 0.614 . . . . 0.0 110.383 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.19 -44.82 80.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 23.7 t80 -60.7 -52.79 63.61 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.661 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 t -61.62 -40.57 95.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.914 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -62.78 -51.66 66.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.189 0.519 . . . . 0.0 110.158 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 105' ' ' TYR . 24.0 mm -59.48 -36.72 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.307 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -54.41 -57.84 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.426 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.15 -46.61 87.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.592 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.37 -44.21 97.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' ILE . 89.3 t80 -53.74 -48.76 69.34 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.785 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -59.0 -43.62 91.52 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.834 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.8 m -57.28 -37.69 72.78 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.932 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.31 -40.11 81.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.16 -48.48 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.012 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -64.34 -43.53 94.32 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.533 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -60.02 -27.09 66.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.228 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.46 17.58 60.18 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.1 mt -75.19 -45.6 39.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.952 -0.624 . . . . 0.0 111.043 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.86 -38.94 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.442 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -84.18 66.52 9.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.536 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.6 m -66.89 -56.46 10.2 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.24 0.543 . . . . 0.0 111.63 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.99 127.83 33.13 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.621 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -44.0 146.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.378 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.486 -179.441 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.537 ' C ' ' H ' ' A' ' 4' ' ' GLY . 2.4 Cg_endo -70.9 -16.36 32.77 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.424 2.083 . . . . 0.0 109.968 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.85 14.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.566 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -121.24 126.73 6.67 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -61.63 -58.72 6.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.929 0.395 . . . . 0.0 110.579 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -54.35 -22.01 11.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.451 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -41.51 98.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.049 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -59.95 -49.45 77.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.36 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.84 -40.91 88.1 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.571 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.92 -48.38 80.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.633 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.02 -49.85 72.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.689 1.233 . . . . 0.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -60.15 -60.04 4.45 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.261 -2.245 . . . . 0.0 111.443 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.8 m -52.48 -46.43 66.57 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.967 0.413 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -60.93 -46.74 89.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.359 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.25 -16.06 0.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.248 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.08 -1.88 12.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.098 -177.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -89.77 -13.6 36.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.187 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -67.24 -37.31 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.782 0.801 . . . . 0.0 110.183 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -62.26 -37.32 85.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.459 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.508 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 96.1 m-85 -93.68 156.09 16.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.234 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' A' ' 23' ' ' VAL . 96.8 mt-10 -119.34 172.75 7.39 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.652 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.621 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 31.9 t-80 62.82 3.98 1.33 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 21' ' ' GLU . 69.4 t -123.55 126.33 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.095 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -141.88 108.1 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.796 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -86.52 88.27 2.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.491 0.662 . . . . 0.0 112.389 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -94.58 -24.48 17.21 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.927 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.404 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 6.2 t-20 -148.49 -173.73 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.261 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 67.2 m-85 -107.33 -11.63 15.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 0.0 110.581 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 p -104.85 -73.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -60.77 -44.12 97.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.504 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.4 m -69.43 1.43 3.95 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.008 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.42 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 30.3 m95 -114.43 -3.71 13.0 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.708 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 t -62.27 -5.67 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.275 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 36' ' ' MET . 2.4 m -93.18 -26.13 17.53 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 79.65 -14.94 15.75 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -177.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.502 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.8 mmm -61.83 -25.92 67.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.506 -0.847 . . . . 0.0 110.313 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.14 -50.14 50.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.914 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -57.65 -46.25 84.43 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.21 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.524 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 2.4 m -69.43 -45.48 69.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.13 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.48 98.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.168 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.73 -44.63 95.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.873 0.368 . . . . 0.0 110.587 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 44' ' ' LYS . 8.7 mm -66.87 -44.5 88.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 59.9 t-80 -54.03 -10.56 0.35 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.028 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 42' ' ' ILE . 7.1 tmtm? -81.74 -35.98 29.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.927 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.98 -23.03 17.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.555 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -125.29 99.5 33.73 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.449 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.06 -39.69 1.11 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.842 1.695 . . . . 0.0 111.695 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -62.76 -13.99 39.43 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.8 -75.17 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 114.355 -1.293 . . . . 0.0 112.243 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 6.9 p90 -170.24 166.13 8.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.715 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -84.79 96.37 9.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -61.56 -21.73 64.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.868 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.51 -13.16 59.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.448 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -89.53 -19.71 24.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 120.947 0.403 . . . . 0.0 110.485 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.2 mt -79.41 150.8 31.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.12 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.52 ' C ' ' H ' ' A' ' 58' ' ' ALA . 1.4 m-20 -124.69 145.44 49.57 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.109 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -50.61 -11.22 0.35 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.194 1.929 . . . . 0.0 109.904 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -80.77 -8.45 59.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.029 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -114.22 53.52 0.79 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.136 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -69.53 -49.79 51.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.646 HH21 ' CD2' ' A' ' 62' ' ' HIS . 69.1 ttp85 -54.98 -46.69 75.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.291 0.567 . . . . 0.0 110.238 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.646 ' CD2' HH21 ' A' ' 61' ' ' ARG . 16.7 m-70 -66.26 -34.6 78.37 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.278 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.524 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 26.2 t-20 -63.48 -41.61 98.58 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.375 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 50.1 m-85 -68.67 -54.98 13.02 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.867 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.6 m -56.05 -44.2 78.61 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.83 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.8 tp -59.82 -48.29 82.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.222 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.87 79.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.028 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 44.9 m-85 -80.55 -51.39 8.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -61.36 -30.72 70.7 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.0 m -76.07 -50.01 15.91 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.468 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -30.83 71.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 76' ' ' ASP . 84.4 tt0 -70.91 -52.18 21.6 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.604 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.97 -38.91 87.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.669 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.2 mt -79.63 -45.58 18.83 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' CG ' ' A' ' 76' ' ' ASP . . . -123.9 5.89 8.69 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 72' ' ' GLU . 3.7 p-10 44.3 41.87 4.76 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.114 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.4 p -58.21 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.52 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.76 170.87 12.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.199 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -133.37 41.14 3.11 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 109.989 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.44 -23.16 66.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.498 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -115.03 143.59 44.94 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 121.272 0.558 . . . . 0.0 112.252 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 97.3 mt-10 -112.91 143.16 44.65 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.298 178.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.6 t -58.12 -51.96 64.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.366 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -53.99 -45.39 71.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.435 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.4 OUTLIER -65.5 -42.92 91.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.078 0.466 . . . . 0.0 110.384 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.566 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.2 mtp -62.24 -44.59 96.22 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.397 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.25 -41.95 81.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.7 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -71.25 -48.5 50.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.811 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.9 -51.71 60.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 0.0 110.25 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 61.72 24.52 14.61 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 74.3 t -162.08 89.19 1.44 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.581 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.14 -175.14 1.82 Allowed 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.925 1.75 . . . . 0.0 111.255 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -119.15 129.63 55.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.237 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.0 t -47.66 -31.94 5.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.967 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.477 ' O ' ' OG1' ' A' ' 99' ' ' THR . 61.1 tttp -75.43 -34.78 61.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.374 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -66.75 -54.02 27.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.115 0.483 . . . . 0.0 110.968 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.52 -43.87 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -58.28 -50.79 72.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.224 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 20.1 m -58.44 -41.7 85.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.119 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -62.15 -51.37 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.442 0.639 . . . . 0.0 110.316 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' TYR . 29.4 mm -61.42 -41.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.084 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -50.41 -62.03 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.653 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.88 -46.23 89.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.751 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.41 -45.21 94.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.742 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 101' ' ' ILE . 79.8 t80 -53.64 -47.44 70.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.535 0.684 . . . . 0.0 109.367 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -61.83 -37.71 85.46 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.974 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.3 t -60.63 -41.52 95.02 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.688 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 26.8 mt -68.04 -37.81 81.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.99 0.424 . . . . 0.0 111.235 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.43 -48.4 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -65.49 -41.33 93.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -61.94 -28.18 69.35 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.278 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.44 16.18 59.17 Favored Glycine 0 N--CA 1.463 0.49 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.5 mt -72.96 -43.59 62.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.442 -0.879 . . . . 0.0 110.923 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.4 -32.29 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.277 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -75.43 49.3 0.47 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.881 0.372 . . . . 0.0 110.524 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.3 m -73.09 -15.23 61.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.516 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -118.19 130.07 55.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -135.65 121.1 19.27 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt . . . . . 0 C--O 1.222 -0.374 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.44 -179.654 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -56.03 -19.95 28.38 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.179 1.919 . . . . 0.0 109.732 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -81.38 -17.1 50.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.77 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.52 15.59 75.37 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' MET . 69.6 m -53.05 -55.12 26.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.788 0.328 . . . . 0.0 110.622 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -45.62 -25.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.706 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -64.77 -38.73 91.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.863 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 17.7 tpt -59.68 -49.16 78.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.481 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.42 -44.52 94.37 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.052 0.453 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.57 -47.19 86.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.44 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.83 -53.64 55.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 122.597 1.189 . . . . 0.0 109.953 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -53.83 -61.29 2.4 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 112.661 -2.063 . . . . 0.0 111.462 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 m -53.13 -44.59 67.82 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.968 0.413 . . . . 0.0 110.896 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 16' ' ' MET . 58.6 ttp180 -60.65 -56.25 23.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.674 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.44 -15.08 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.415 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.506 ' H ' ' C ' ' A' ' 14' ' ' ARG . 54.0 mtm -120.27 -4.18 9.97 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -95.38 -12.85 25.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -66.15 -47.15 75.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.646 0.736 . . . . 0.0 109.435 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -49.39 -28.57 5.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.683 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -93.65 153.81 18.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' A' ' 23' ' ' VAL . 95.8 mt-10 -114.6 172.23 7.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.95 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.604 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 50.7 t-80 60.83 6.47 1.19 Allowed 'General case' 0 C--N 1.334 -0.072 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.509 ' H ' ' C ' ' A' ' 21' ' ' GLU . 70.1 t -121.92 127.7 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.336 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 31' ' ' SER . 25.0 t0 -140.88 104.09 4.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.482 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.9 mt -88.36 79.28 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.397 0.618 . . . . 0.0 112.513 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -99.73 -8.83 23.77 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.796 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -157.01 174.11 16.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.508 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 73.7 m-85 -101.92 -10.13 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.99 0.424 . . . . 0.0 110.48 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -102.86 -73.11 0.67 Allowed 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 p -58.04 -42.76 86.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 43.4 m -72.42 1.97 7.02 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.189 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.428 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 38.1 m95 -116.19 -10.52 11.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.663 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -58.41 -18.46 28.38 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.474 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 36' ' ' MET . 5.4 m -88.01 -21.44 24.8 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.54 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.413 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.8 -10.7 23.87 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 108.951 -1.66 . . . . 0.0 108.951 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.497 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.9 mmm -60.08 -28.17 67.6 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.778 -0.711 . . . . 0.0 110.074 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.57 -49.12 51.22 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.683 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.13 -46.8 85.0 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.069 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 8.1 m -69.03 -45.5 70.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.402 . . . . 0.0 111.011 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.17 98.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.406 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.95 -44.38 96.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.875 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.445 ' C ' ' H ' ' A' ' 44' ' ' LYS . 5.9 mm -66.54 -44.43 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.753 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 26.6 t-80 -54.65 -10.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.298 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 42' ' ' ILE . 35.1 tptt -80.52 -36.16 33.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.608 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -96.84 -20.78 17.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.859 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -126.41 99.82 30.0 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.47 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.441 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_endo -74.59 -35.26 3.7 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.912 1.741 . . . . 0.0 111.862 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -70.44 -2.48 13.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -58.27 -75.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.189 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.4 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.2 p90 -170.73 164.11 8.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.637 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -85.99 96.51 9.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -60.75 -21.83 63.4 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.58 -12.87 59.45 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.472 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -95.0 -16.26 22.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.926 0.393 . . . . 0.0 110.613 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.7 mt -80.18 155.64 27.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.138 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.96 162.42 37.19 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.507 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -73.5 -16.59 24.23 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.062 1.842 . . . . 0.0 110.328 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.61 74.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.439 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -84.69 52.34 2.37 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.059 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -65.42 -43.04 91.78 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -53.14 -47.36 68.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.221 0.534 . . . . 0.0 110.29 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -67.13 -35.48 79.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.788 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.514 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 20.4 t-20 -62.13 -43.29 99.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.641 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 46.9 m-85 -67.43 -55.38 13.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.781 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.1 m -54.83 -42.74 72.28 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.59 -48.92 79.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.339 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.4 77.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.187 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 48.1 m-85 -79.86 -49.73 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.4 m -62.12 -30.26 70.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.9 m -77.42 -45.69 25.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.613 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -64.91 -35.26 80.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' ASP . 40.5 tt0 -71.1 -49.73 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.897 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.29 -40.8 97.48 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.916 -0.713 . . . . 0.0 110.925 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.99 -33.09 19.72 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -125.85 0.01 7.33 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 72' ' ' GLU . 68.3 m-20 46.73 37.03 4.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.813 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' ASP . 30.1 p -49.43 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.621 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.43 171.89 9.41 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.38 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -126.25 67.85 1.21 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -103.73 -22.41 13.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.434 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.28 139.52 46.61 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.225 0.536 . . . . 0.0 112.175 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -113.83 128.25 56.33 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.231 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.4 t -46.69 -53.41 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.6 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -54.25 -45.26 72.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.265 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.71 -43.23 99.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.308 0.575 . . . . 0.0 110.112 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.579 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 12.5 mtp -63.23 -43.03 99.2 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.371 0.605 . . . . 0.0 110.01 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.38 -51.91 67.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.951 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.519 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 13.0 ptm180 -69.94 -45.65 67.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.891 0.377 . . . . 0.0 111.288 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.519 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 35.6 mt -53.13 -63.22 1.22 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.149 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 68.16 17.96 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 91' ' ' VAL . 69.8 t -159.64 60.61 1.56 Allowed Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.671 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.456 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.9 Cg_endo -43.98 174.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.042 1.828 . . . . 0.0 111.483 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.488 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 92.1 m-20 -106.41 125.81 51.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.945 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.8 p -53.12 -33.86 54.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.36 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -68.62 -43.59 76.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.596 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 1.8 p -62.56 -44.9 95.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.344 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.591 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 97.3 t -61.38 -45.85 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.482 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 15.0 t80 -60.6 -50.78 72.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.134 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.2 m -58.9 -42.92 90.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.623 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -62.02 -50.24 72.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.421 0.629 . . . . 0.0 110.158 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.9 mm -61.63 -40.44 86.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -53.51 -58.68 6.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -58.72 -42.97 89.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.869 0.842 . . . . 0.0 109.957 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.94 -39.79 87.4 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.927 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 101' ' ' ILE . 78.3 t80 -56.45 -51.37 68.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -63.84 -36.24 83.25 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.956 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.3 m -60.97 -37.7 83.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.65 -37.97 80.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.651 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.76 -48.26 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -61.8 -44.99 95.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -60.19 -25.25 65.43 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.225 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.06 16.72 62.46 Favored Glycine 0 N--CA 1.465 0.573 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.57 -45.86 50.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.773 -0.714 . . . . 0.0 110.998 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.67 -38.07 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.019 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -104.8 111.36 24.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.95 0.405 . . . . 0.0 110.329 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.31 -44.66 6.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.28 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -62.07 -79.25 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.464 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -68.81 173.14 5.54 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.577 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.487 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -73.44 -72.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.098 1.865 . . . . 0.0 110.342 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.81 -45.04 65.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.676 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' ND2' ' A' ' 7' ' ' ASN . . . 97.4 163.77 31.86 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 7' ' ' ASN . 72.5 m -47.2 -30.32 2.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.95 0.405 . . . . 0.0 110.409 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.49 -2.04 2.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.681 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 8' ' ' MET . 18.7 p30 -66.23 -38.53 88.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.173 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.509 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 0.9 OUTLIER -59.0 -48.28 82.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.319 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.44 -44.35 91.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.701 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.38 -46.82 88.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.347 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -58.99 -53.67 55.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.641 1.21 . . . . 0.0 110.087 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.11 -61.49 2.28 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 112.62 -2.082 . . . . 0.0 110.789 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.2 t -52.45 -44.05 65.28 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.051 0.453 . . . . 0.0 110.72 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.74 -44.13 97.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.376 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.19 -22.52 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.952 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mtt -105.91 -9.68 17.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.2 m -79.49 -15.32 57.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.06 0.457 . . . . 0.0 111.46 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -64.8 -41.01 96.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.43 0.633 . . . . 0.0 109.733 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.01 -36.51 84.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.441 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.524 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 70.3 m-85 -92.62 150.2 20.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.008 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 23' ' ' VAL . 12.7 pt-20 -118.99 176.8 5.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.356 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.6 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 53.9 t-80 63.52 5.4 2.11 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-O 121.795 0.807 . . . . 0.0 108.832 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 21' ' ' GLU . 78.8 t -123.8 129.21 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.885 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -137.08 104.98 5.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.722 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.5 mt -80.54 91.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 112.673 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -99.95 -25.13 14.43 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.762 -1.108 . . . . 0.0 108.798 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.715 HD22 ' H ' ' A' ' 30' ' ' SER . 52.5 p-10 -156.56 -172.75 4.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.336 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.458 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 54.1 m-85 -103.2 -8.32 20.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.058 0.456 . . . . 0.0 110.592 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -102.75 -74.99 0.62 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.715 ' H ' HD22 ' A' ' 27' ' ' ASN . 7.1 t -60.9 -42.27 97.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.498 -178.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.9 m -70.73 -1.43 11.43 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.195 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.458 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.0 m95 -112.6 -5.92 13.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.739 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 t -61.21 -5.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.533 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 36' ' ' MET . 91.6 p -93.16 -24.06 18.36 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.62 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.96 -12.32 24.37 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.48 ' H ' ' C ' ' A' ' 34' ' ' SER . 33.1 mmm -62.8 -31.1 72.02 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.807 -0.697 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -52.68 61.72 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.827 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -57.79 -45.35 86.18 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.13 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 11.1 m -65.81 -47.57 74.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.991 0.424 . . . . 0.0 111.282 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -63.06 -42.19 99.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.414 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.09 -44.19 96.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.021 0.438 . . . . 0.0 110.979 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 42' ' ' ILE . 25.8 mm -66.2 -42.91 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.74 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.524 ' HD1' ' HH ' ' A' ' 20' ' ' TYR . 42.2 t-80 -54.11 -48.18 71.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.831 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.52 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 6.1 tmtt? -45.27 -34.08 2.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.658 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.8 m-85 -94.15 -28.92 15.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.863 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -121.9 99.93 43.75 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.354 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.604 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_endo -75.25 -38.69 1.38 Allowed 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.971 1.781 . . . . 0.0 111.904 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.2 11.44 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.604 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -75.41 -71.65 0.35 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.788 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -169.97 163.13 9.42 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.598 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -85.65 96.67 9.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -58.15 -22.43 51.13 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.954 0.407 . . . . 0.0 110.921 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.47 -16.83 53.39 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -88.43 -15.84 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.3 mt -82.98 154.39 24.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.181 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -126.14 161.47 51.63 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.463 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -74.34 -9.88 21.98 Favored 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 122.019 1.813 . . . . 0.0 110.005 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.29 76.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.598 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -95.2 71.82 3.3 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.87 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.59 -46.51 59.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.092 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -50.78 -56.96 9.65 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.325 0.584 . . . . 0.0 110.965 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -57.92 -35.71 71.46 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.542 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 t-20 -62.37 -42.67 99.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.549 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 50.6 m-85 -69.83 -52.1 27.93 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.6 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' SER . 18.3 m -56.61 -44.32 81.02 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.77 -46.28 91.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.182 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.76 90.92 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.267 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -81.01 -51.65 8.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.111 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 65' ' ' THR . 38.8 m -60.39 -27.86 67.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.693 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.3 m -78.78 -47.64 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.447 178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.49 75.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.76 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' ASP . 82.1 tt0 -73.36 -50.18 23.31 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.783 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.22 -40.96 91.99 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.632 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.9 mt -79.31 -43.27 23.95 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 76' ' ' ASP . . . -125.05 6.65 7.93 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 72' ' ' GLU . 4.1 p-10 41.92 46.79 3.59 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.452 0.644 . . . . 0.0 109.998 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.8 t -58.5 -163.3 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.474 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.74 167.87 17.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.326 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -125.14 63.05 1.16 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -96.61 -22.94 16.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.669 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.1 mt -114.93 137.31 52.14 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.2 0.524 . . . . 0.0 112.171 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.64 139.18 47.3 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.962 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.9 t -58.18 -51.61 68.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.629 -178.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.71 -44.77 73.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.009 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.02 -42.69 97.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.411 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.8 mtp -62.39 -42.52 99.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.332 0.587 . . . . 0.0 109.45 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.8 -44.87 96.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.949 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -72.6 -47.64 46.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.863 0.363 . . . . 0.0 111.737 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.6 mt -56.6 -60.12 4.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.228 -179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 66.17 19.36 11.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 73.9 t -161.91 88.19 1.5 Allowed Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 113.692 -1.594 . . . . 0.0 109.358 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -72.73 -174.36 1.47 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 121.879 1.719 . . . . 0.0 111.444 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.495 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 57.4 t0 -123.69 130.48 52.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.6 p -48.81 -31.48 7.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.081 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' O ' ' OG1' ' A' ' 99' ' ' THR . 18.7 tptp -71.12 -40.77 71.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.731 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 4.0 p -66.09 -47.76 73.15 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.73 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.629 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 84.1 t -64.37 -44.14 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 26.4 t80 -59.67 -51.0 71.68 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.173 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.5 m -57.85 -44.31 86.46 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.94 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -62.05 -49.85 74.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.293 0.568 . . . . 0.0 110.035 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.5 mm -60.86 -41.43 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.896 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -51.43 -61.54 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.61 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.64 -45.57 89.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.628 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.5 -44.33 96.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.383 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 81.2 t80 -53.74 -48.74 69.38 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.733 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -59.94 -43.57 94.89 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.085 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.5 p -60.11 -37.45 80.03 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.986 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.14 -39.68 82.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.11 -49.72 82.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -62.12 -45.67 92.43 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -58.5 -27.85 64.85 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.274 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.81 17.29 58.38 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.4 mt -73.85 -44.3 55.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.784 -0.708 . . . . 0.0 111.044 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.0 t -63.41 -37.93 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.122 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -87.62 59.08 5.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.835 0.35 . . . . 0.0 110.233 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.1 m -73.07 -54.23 9.07 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.194 0.521 . . . . 0.0 111.57 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -144.81 145.09 31.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.133 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 119' ' ' LYS . 56.9 mtpt -73.18 151.49 41.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' LYS . 23.2 pttm . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.859 -1.067 . . . . 0.0 111.157 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.487 2.066 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -72.7 32.86 0.29 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.291 1.994 . . . . 0.0 110.226 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.57 ' H ' ' C ' ' A' ' 1' ' ' GLY . 88.0 mt -78.6 -0.63 30.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.352 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.17 39.1 95.95 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -67.7 -66.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.009 0.433 . . . . 0.0 110.705 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -100.79 0.71 39.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.518 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -66.28 -40.8 90.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.154 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 tpt -58.48 -51.0 71.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.545 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' CD1' ' CE2' ' A' ' 98' ' ' TYR . 88.7 mt -64.71 -43.37 93.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.465 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.93 -47.48 84.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.451 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.04 -50.88 71.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.671 1.224 . . . . 0.0 109.716 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.436 ' O ' ' CE ' ' A' ' 16' ' ' MET . 82.2 t90 -59.39 -60.94 3.05 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.478 -2.146 . . . . 0.0 111.266 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.2 m -51.71 -44.56 63.22 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.127 0.489 . . . . 0.0 110.79 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' A' ' 16' ' ' MET . 77.0 ttt-85 -63.03 -49.67 73.68 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.28 -12.72 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.428 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.531 ' H ' ' C ' ' A' ' 14' ' ' ARG . 1.9 mpp? -110.97 -17.38 13.31 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.606 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' ARG . 48.2 m -70.09 -15.78 63.03 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.299 0.375 . . . . 0.0 111.482 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -65.96 -36.16 82.58 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.582 0.706 . . . . 0.0 109.932 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -67.23 -38.75 85.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.643 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.462 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 97.0 m-85 -95.53 155.37 16.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.84 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 23' ' ' VAL . 98.0 mt-10 -119.16 174.51 6.29 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.611 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 51.0 t-80 60.99 6.35 1.21 Allowed 'General case' 0 C--O 1.227 -0.108 0 CA-C-O 122.082 0.944 . . . . 0.0 108.577 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.507 ' H ' ' C ' ' A' ' 21' ' ' GLU . 74.8 t -122.66 127.39 74.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.862 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 31' ' ' SER . 70.2 m-20 -136.57 105.75 6.01 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.194 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CD1' ' OG1' ' A' ' 17' ' ' THR . 45.1 mt -85.64 83.65 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 121.43 0.633 . . . . 0.0 111.956 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -99.1 -21.69 16.05 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.077 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 30' ' ' SER . 4.8 p30 -148.98 179.56 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.289 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -104.37 -9.05 18.77 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.146 0.498 . . . . 0.0 110.405 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 30' ' ' SER . 93.0 p -102.55 -72.99 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.839 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.452 ' N ' ' OG ' ' A' ' 29' ' ' SER . 67.4 m -59.54 -42.26 91.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.498 -178.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 16.8 t -71.51 2.39 5.13 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.17 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -116.99 -7.67 11.33 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.656 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -56.54 -31.58 64.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.465 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.1 m -72.51 -22.85 60.98 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.0 -11.42 21.99 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.577 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 60.1 mtp -62.46 -27.19 68.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.424 -0.888 . . . . 0.0 110.071 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.8 -50.0 53.91 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.482 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.93 -46.3 88.3 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.105 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.513 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 3.8 m -65.57 -47.12 76.87 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.013 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.52 98.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.363 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.39 -43.12 98.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.046 0.451 . . . . 0.0 110.89 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 mm -65.99 -39.99 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.573 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.462 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 43.3 t-80 -57.26 -42.28 81.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -49.15 -36.68 19.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.135 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -93.73 -29.57 15.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.085 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -120.93 100.51 46.04 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.1 Cg_exo -74.92 -40.92 0.77 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.876 1.718 . . . . 0.0 111.707 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -63.11 -11.12 17.75 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -50.16 -75.64 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.076 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -169.07 163.47 11.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.64 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -83.64 95.3 8.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -60.93 -19.46 60.69 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.071 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.54 -13.69 57.77 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.566 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -95.42 -15.21 23.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.645 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.6 mt -81.84 153.03 26.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.949 0.404 . . . . 0.0 111.003 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -123.41 165.58 22.21 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.326 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -74.37 -12.16 22.86 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.301 2.001 . . . . 0.0 110.042 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.39 80.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -86.44 60.18 6.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -69.84 -51.17 35.74 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -52.02 -49.29 63.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.307 0.575 . . . . 0.0 110.196 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -64.77 -33.42 75.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.513 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 20.9 t-20 -62.15 -41.27 98.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.671 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 26.6 m-85 -69.49 -53.58 18.44 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.742 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.5 m -53.88 -41.5 67.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.39 -50.01 75.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.058 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.02 -36.06 72.16 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.962 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -82.56 -52.84 6.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.272 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 m -59.74 -31.41 69.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.035 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -76.97 -50.89 12.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.235 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.35 71.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.817 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 76' ' ' ASP . 65.0 mm-40 -71.2 -50.98 27.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.698 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.38 -38.79 88.29 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.68 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -79.8 -42.98 23.28 Favored 'General case' 0 CA--C 1.53 0.212 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.475 ' O ' ' CG ' ' A' ' 76' ' ' ASP . . . -127.36 6.29 6.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 72' ' ' GLU . 3.1 p30 43.19 42.81 3.65 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.339 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.4 p -57.31 -162.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.402 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.32 169.56 13.61 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.235 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -129.13 43.24 3.18 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.08 -24.86 64.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.392 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mt -112.87 140.12 47.93 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.126 0.488 . . . . 0.0 112.207 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 80.8 mm-40 -114.56 126.81 55.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.378 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.6 t -43.66 -51.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.283 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -52.73 -45.56 67.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.38 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -68.51 -40.71 80.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.088 0.47 . . . . 0.0 110.311 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 8.6 mtp -61.7 -45.43 94.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.716 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.9 -42.71 85.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.933 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -70.85 -47.61 58.39 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -64.44 -51.44 63.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.273 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.42 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 62.57 25.31 15.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 53.9 t -163.91 92.17 1.08 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.703 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -72.68 -175.02 1.66 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.887 1.725 . . . . 0.0 111.393 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -120.91 131.14 54.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.24 0.543 . . . . 0.0 110.362 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.5 p -48.41 -32.28 7.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.037 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.488 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -77.68 -32.42 53.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.486 179.298 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.5 m -67.01 -52.69 39.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.063 0.459 . . . . 0.0 110.588 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.45 -43.58 98.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 17.0 t80 -57.65 -51.21 70.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.376 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 14.7 m -57.9 -42.56 84.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.214 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -61.76 -50.47 72.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.459 0.647 . . . . 0.0 110.138 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 105' ' ' TYR . 27.3 mm -61.36 -40.98 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.053 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.512 HE21 ' NH1' ' A' ' 106' ' ' ARG . 33.3 tt0 -50.09 -63.59 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.783 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.9 -46.54 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.7 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.42 -45.98 90.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.698 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' ILE . 85.1 t80 -51.84 -46.74 64.47 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.685 0.755 . . . . 0.0 109.55 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.512 ' NH1' HE21 ' A' ' 102' ' ' GLN . 94.4 mtt180 -61.81 -38.32 87.69 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.04 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.4 m -61.22 -39.06 88.85 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.123 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.3 mt -68.12 -36.13 79.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.35 -48.38 85.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -64.35 -47.48 79.15 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -56.96 -29.18 62.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.246 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.76 17.83 55.78 Favored Glycine 0 N--CA 1.464 0.554 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.5 mt -73.29 -44.96 58.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.361 -0.92 . . . . 0.0 111.034 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.24 -35.95 76.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.305 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -100.06 89.08 3.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.012 0.434 . . . . 0.0 110.315 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.41 -34.15 4.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.055 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -145.01 142.05 29.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.028 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -77.3 157.02 30.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.181 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.437 -179.541 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -68.82 -30.38 27.11 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.241 1.961 . . . . 0.0 110.306 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.6 -38.26 83.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.683 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.98 40.16 9.59 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -68.48 -46.05 70.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.918 0.389 . . . . 0.0 110.903 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -99.49 -0.46 40.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -65.37 -41.18 94.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.033 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.9 OUTLIER -60.15 -55.5 33.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.54 -179.555 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.1 mt -65.46 -41.58 93.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.795 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 49.2 tp -62.02 -48.44 80.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.699 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -58.44 -51.24 70.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.593 1.187 . . . . 0.0 110.15 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -55.78 -62.32 1.77 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 112.457 -2.156 . . . . 0.0 111.611 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 14.6 p -50.75 -45.23 58.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.007 0.432 . . . . 0.0 111.396 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.606 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 51.2 ttt85 -61.15 -45.24 95.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.169 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.97 -21.84 1.97 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.389 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mmt -96.5 -3.81 42.6 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.601 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.45 ' O ' ' O ' ' A' ' 20' ' ' TYR . 75.7 p -91.49 -13.24 32.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.319 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -65.23 -45.32 85.14 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.589 0.709 . . . . 0.0 109.736 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -65.63 -35.81 81.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.091 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.541 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 37.4 m-85 -90.52 150.38 21.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.795 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 23' ' ' VAL . 12.5 pt-20 -115.14 172.27 7.17 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.61 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.611 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 27.5 t-80 62.38 5.1 1.47 Allowed 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 21' ' ' GLU . 82.4 t -125.15 128.77 73.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' O ' ' OG ' ' A' ' 31' ' ' SER . 39.8 t0 -147.52 106.29 3.82 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.9 mt -85.29 92.17 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -98.18 -20.76 17.1 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.656 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -152.39 -178.48 6.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.419 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.422 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 53.0 m-85 -102.5 -11.52 18.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.926 0.394 . . . . 0.0 110.427 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.444 ' HG ' ' H ' ' A' ' 30' ' ' SER . 84.9 p -101.31 -75.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.444 ' H ' ' HG ' ' A' ' 29' ' ' SER . 46.5 m -56.77 -42.59 79.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.693 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 41.1 t -72.93 1.46 8.73 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.382 -178.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.422 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.1 m95 -114.15 -10.46 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.597 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -62.23 -7.06 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.433 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 36' ' ' MET . 6.0 t -91.85 -22.5 20.06 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.66 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.559 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.71 -13.37 18.1 Favored Glycine 0 CA--C 1.519 0.292 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.519 ' H ' ' C ' ' A' ' 34' ' ' SER . 49.9 mmm -61.93 -32.15 72.53 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.569 -0.816 . . . . 0.0 110.145 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.12 55.46 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.7 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -58.71 -45.4 89.62 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.186 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.622 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 14.8 p -70.27 -46.07 65.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.003 0.43 . . . . 0.0 111.299 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -64.8 -42.27 95.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.51 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.51 -44.2 96.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.889 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.47 -35.25 71.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.229 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.541 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 40.8 t-80 -59.81 -36.99 77.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.139 0.495 . . . . 0.0 110.85 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -54.9 -37.65 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.296 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -90.89 -35.51 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.818 -178.213 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -116.62 103.14 52.92 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.392 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_exo -75.01 -40.67 0.82 Allowed 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.922 1.748 . . . . 0.0 111.768 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.41 -0.56 3.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -56.19 -76.7 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.084 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -168.1 162.28 13.0 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.609 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -81.55 96.87 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -62.2 -19.11 62.78 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.54 -22.49 34.94 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.624 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -81.46 -20.1 40.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.979 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.5 mt -72.12 -171.25 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.477 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -159.32 164.47 20.63 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.233 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -74.95 -20.26 17.15 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.215 1.944 . . . . 0.0 110.246 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.16 -42.99 71.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.401 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.78 54.82 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.243 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 -69.84 -42.05 74.1 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -50.26 -54.73 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.391 0.615 . . . . 0.0 110.409 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -62.56 -31.82 72.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.807 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 46.6 t30 -61.94 -42.61 99.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 50.4 m-85 -67.98 -55.6 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.399 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -53.26 -42.79 66.86 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' O ' ' OG1' ' A' ' 70' ' ' THR . 55.8 tp -61.38 -46.95 88.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.013 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.07 87.08 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.034 -0.667 . . . . 0.0 110.086 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.98 -49.69 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.2 t -61.65 -28.84 69.67 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 32.4 m -77.84 -47.14 19.54 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.313 178.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.58 76.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 76' ' ' ASP . 13.0 tm-20 -72.04 -49.97 32.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.792 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -60.3 -40.3 90.01 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.859 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.51 -45.17 22.62 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.93 8.69 7.45 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 72' ' ' GLU . 69.3 m-20 46.44 36.78 3.7 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.94 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.454 ' O ' ' O ' ' A' ' 76' ' ' ASP . 94.8 m -49.97 -163.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.547 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.73 168.59 14.21 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.384 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.86 41.32 3.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.928 0.394 . . . . 0.0 109.953 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.06 -20.97 63.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.548 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mt -116.26 138.71 51.08 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.166 0.507 . . . . 0.0 112.28 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 49.7 mp0 -108.32 144.2 36.17 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.273 178.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.7 t -58.32 -51.65 68.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.441 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.2 p30 -55.33 -46.78 76.34 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.132 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 35.0 t0 -63.2 -43.92 96.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.054 0.455 . . . . 0.0 110.004 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.452 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.8 mtp -62.55 -44.52 96.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.347 0.594 . . . . 0.0 109.87 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.3 t -70.64 -41.28 77.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.883 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' NH2' ' OD1' ' A' ' 85' ' ' ASP . 65.3 ttp85 -70.72 -45.84 64.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.807 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.38 -51.68 62.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.081 0.467 . . . . 0.0 110.315 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.402 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 63.8 21.06 12.51 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.4 -1.334 . . . . 0.0 107.4 -177.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 68.6 t -162.26 89.0 1.41 Allowed Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.462 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -72.46 -173.0 1.02 Allowed 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.983 1.789 . . . . 0.0 111.397 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.76 130.77 53.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.251 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.9 p -48.73 -31.62 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.092 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -76.22 -34.07 59.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.486 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 59.4 m -69.12 -40.97 77.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.455 0.645 . . . . 0.0 110.581 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.18 -43.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.244 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.6 t80 -61.92 -53.05 61.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.845 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 100' ' ' TYR . 14.2 t -58.8 -42.5 89.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.331 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.415 ' N ' ' CG2' ' A' ' 99' ' ' THR . 47.9 t80 -61.4 -49.92 74.95 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.376 0.608 . . . . 0.0 110.053 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.13 -36.91 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.926 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -54.68 -56.75 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.701 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -60.12 -45.8 91.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.332 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.43 -43.94 96.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.707 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -54.01 -47.26 71.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.431 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.39 -40.47 90.99 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.871 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 t -61.01 -39.2 88.81 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.72 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.31 -37.61 83.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.828 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.43 -49.21 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -65.24 -49.16 70.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -51.99 -30.57 25.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.273 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.96 17.13 58.45 Favored Glycine 0 N--CA 1.463 0.487 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.36 -47.04 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.515 -0.843 . . . . 0.0 111.061 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.01 -40.06 80.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.475 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -84.74 70.41 10.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.069 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.8 t -115.31 -0.13 13.29 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -141.35 145.82 35.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -150.15 150.97 32.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.342 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.483 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.559 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 3.1 Cg_exo -71.89 114.36 3.94 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.304 2.002 . . . . 0.0 110.337 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.6 mt -83.18 2.42 35.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.367 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.44 61.31 0.45 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.546 ' HG ' ' HH ' ' A' ' 98' ' ' TYR . 51.7 p -82.39 -60.18 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.29 0.566 . . . . 0.0 110.545 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.458 ' N ' ' OG ' ' A' ' 5' ' ' SER . 68.6 mttm -48.41 -45.03 35.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.42 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -63.44 -41.75 98.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.963 0.411 . . . . 0.0 110.169 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.7 tpt -59.9 -46.67 88.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.311 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.7 -44.34 90.58 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.536 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.431 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 14.1 tp -61.45 -46.82 88.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.406 -179.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.32 -53.26 60.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.626 1.203 . . . . 0.0 110.118 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -53.98 -60.13 3.73 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 112.489 -2.142 . . . . 0.0 111.551 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 13.6 p -53.89 -43.09 69.36 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.128 0.49 . . . . 0.0 111.084 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.598 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 33.9 ttm180 -58.48 -47.07 85.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.352 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.72 -26.28 3.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.232 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.467 ' N ' ' SD ' ' A' ' 16' ' ' MET . 3.5 mmt -97.63 -6.65 32.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.418 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.5 m -87.19 -14.42 41.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.366 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -65.18 -42.87 93.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.662 0.744 . . . . 0.0 109.617 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 29.6 t-20 -62.98 -35.61 80.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.911 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.607 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 57.4 m-85 -91.53 151.17 20.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.125 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' A' ' 23' ' ' VAL . 15.1 pt-20 -119.29 174.28 6.44 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.517 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.632 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 39.4 t-80 62.49 3.02 0.99 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 21' ' ' GLU . 89.8 t -123.94 127.16 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.308 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 29.5 p-10 -141.18 106.94 5.11 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.904 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.9 mt -85.34 89.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.492 0.663 . . . . 0.0 112.395 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -103.39 -2.63 26.68 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.946 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -167.03 178.38 5.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.264 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 42.6 m-85 -104.18 -12.11 16.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.929 0.395 . . . . 0.0 110.284 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 m -103.03 -72.99 0.68 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -60.04 -42.48 94.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.464 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.9 m -70.91 0.92 6.28 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.289 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.408 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 32.3 m95 -113.96 -6.38 13.17 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.647 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.6 m -54.89 -40.73 70.09 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.437 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.3 m -64.26 -22.99 67.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.51 -9.28 36.12 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.481 ' H ' ' C ' ' A' ' 34' ' ' SER . 53.9 mmm -62.19 -29.83 70.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.545 -0.828 . . . . 0.0 110.28 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.79 -51.34 56.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.839 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -45.95 86.28 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.366 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 3.6 m -68.87 -46.36 68.64 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.36 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.34 89.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.383 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.9 -43.92 91.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.927 0.394 . . . . 0.0 110.851 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' C ' ' H ' ' A' ' 44' ' ' LYS . 2.8 mm -66.98 -45.08 87.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.918 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.607 ' CG ' ' HH ' ' A' ' 20' ' ' TYR . 31.7 t-80 -57.28 -6.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 -178.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.98 -36.3 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.772 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -84.67 -40.72 17.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.855 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 49' ' ' ALA . 34.4 m-85 -118.57 78.34 14.96 Favored Pre-proline 0 C--O 1.22 -0.448 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.212 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.492 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.1 Cg_endo -46.57 -34.05 14.28 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 121.819 1.679 . . . . 0.0 111.678 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -68.29 -1.1 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 46' ' ' PHE . . . -54.75 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.618 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.2 p90 -167.22 160.74 13.95 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.619 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -78.51 90.31 4.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.406 ' HH ' ' CG2' ' A' ' 23' ' ' VAL . 56.6 t80 -62.17 -22.04 65.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.15 -12.79 59.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.512 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -94.05 -12.84 27.72 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.723 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.25 152.19 25.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.954 0.407 . . . . 0.0 110.897 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' C ' ' H ' ' A' ' 58' ' ' ALA . 22.3 m-20 -124.79 144.87 47.96 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.305 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.12 -12.17 1.32 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.043 1.828 . . . . 0.0 109.921 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.83 -45.75 63.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.649 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -85.96 60.08 6.02 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.316 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 19.4 ptp180 -73.74 -45.75 50.07 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 82.0 mtp180 -52.35 -48.6 65.42 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.409 0.623 . . . . 0.0 110.089 -178.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -66.94 -34.54 77.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.524 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.52 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 20.5 t-20 -61.7 -43.13 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.152 0.501 . . . . 0.0 110.539 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.52 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 52.5 m-85 -65.94 -57.7 7.24 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.569 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 m -51.58 -41.32 61.08 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.69 -50.06 75.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.218 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.87 80.49 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.895 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -78.16 -46.05 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.73 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.4 m -64.98 -27.51 68.88 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.665 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.6 m -77.43 -47.58 19.38 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.328 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.19 79.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' ASP . 83.2 tt0 -74.34 -49.54 22.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.091 0.472 . . . . 0.0 110.769 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -58.46 -43.23 88.77 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.459 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.76 -51.78 9.3 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.061 0.764 . . . . 0.0 113.061 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 8.47 15.83 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 72' ' ' GLU . 74.9 m-20 45.21 43.59 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.927 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 76' ' ' ASP . 14.6 p -49.05 -166.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.487 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.76 172.89 9.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.255 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -127.52 68.6 1.3 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -101.58 -26.14 13.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.653 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.9 mt -116.26 142.71 46.48 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.383 0.611 . . . . 0.0 111.923 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -111.52 143.02 43.05 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.694 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.05 -51.18 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.138 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -53.97 -44.95 71.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.008 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -59.53 -44.4 93.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 2.6 mtm -62.35 -47.16 85.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.439 0.637 . . . . 0.0 110.289 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.0 t -63.03 -43.78 99.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.645 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -72.46 -48.86 37.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.781 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.9 -47.99 67.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.371 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 57.05 29.0 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 61.3 t -164.24 88.91 1.11 Allowed Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 113.789 -1.55 . . . . 0.0 109.63 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -71.22 -171.83 0.66 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 121.881 1.72 . . . . 0.0 111.42 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -124.13 131.5 53.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.289 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 76.4 p -49.24 -32.3 10.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.056 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -74.89 -35.53 62.26 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.537 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -66.58 -52.85 40.93 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.05 -43.33 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.021 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.546 ' HH ' ' HG ' ' A' ' 5' ' ' SER . 16.4 t80 -59.81 -51.0 71.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.05 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.6 m -58.49 -44.67 89.5 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.77 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.85 -49.9 75.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.482 0.658 . . . . 0.0 110.19 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 105' ' ' TYR . 5.5 mm -60.75 -40.3 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.088 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -50.59 -62.05 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -58.46 -45.44 88.6 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.755 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.6 -45.3 94.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.97 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.3 t80 -52.34 -47.57 65.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.49 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -60.65 -39.73 89.4 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.996 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 m -59.24 -39.38 82.59 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.952 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.8 mt -69.07 -37.15 78.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.2 -48.64 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -65.18 -44.07 89.61 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -58.88 -26.8 64.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.327 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.93 18.78 60.61 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.64 -50.62 17.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.486 -0.857 . . . . 0.0 110.856 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.5 t -71.33 -37.61 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.594 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -92.29 91.88 7.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.507 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 52.7 m -114.34 -11.81 12.49 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.343 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -85.75 120.59 27.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.442 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -41.98 150.02 0.13 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.983 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.597 -179.296 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.527 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 2.5 Cg_endo -70.17 -29.51 21.83 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.268 1.979 . . . . 0.0 110.284 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.87 -37.58 86.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.706 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.64 160.62 35.9 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -85.46 -67.04 0.83 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.142 0.496 . . . . 0.0 110.717 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -47.74 -35.77 10.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.704 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.9 -42.24 98.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.917 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 tpt -60.42 -48.45 81.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.332 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.14 -43.34 92.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.46 -47.26 86.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.454 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.54 -49.41 76.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.629 1.204 . . . . 0.0 110.004 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -61.17 -62.48 1.81 Allowed 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 112.533 -2.121 . . . . 0.0 111.226 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 m -51.61 -48.93 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.016 0.436 . . . . 0.0 110.764 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -60.28 -47.04 87.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.311 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -54.66 -24.15 20.43 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.365 -178.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -106.75 -2.13 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.742 -179.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -10.13 34.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.343 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -67.35 -37.77 83.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.669 0.747 . . . . 0.0 109.283 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -56.79 -33.61 66.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.523 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 66.9 m-85 -106.98 102.11 11.49 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.855 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.595 ' C ' ' H ' ' A' ' 23' ' ' VAL . 95.8 mt-10 -66.56 -172.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.626 0.25 . . . . 0.0 110.757 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.635 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 32.2 t-80 60.15 1.48 0.35 Allowed 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.911 0.862 . . . . 0.0 108.838 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.595 ' H ' ' C ' ' A' ' 21' ' ' GLU . 77.9 t -124.01 128.45 74.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.878 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 41.9 p-10 -140.67 106.44 5.14 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.7 mt -86.27 83.74 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 121.392 0.615 . . . . 0.0 112.48 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.509 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 88.8 mt-30 -95.93 -20.69 18.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.958 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 26' ' ' GLN . 17.7 m120 -147.67 179.0 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.179 178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 72.5 m-85 -104.69 -9.88 17.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.983 0.42 . . . . 0.0 110.437 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -105.21 -72.74 0.7 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.8 t -60.74 -44.21 96.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.447 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m -69.47 0.05 5.79 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.073 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.449 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 28.2 m95 -112.16 -3.83 14.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.637 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -64.92 -0.5 1.56 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.438 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.514 ' C ' ' H ' ' A' ' 36' ' ' MET . 3.1 m -95.33 -25.2 16.4 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.35 -14.89 14.05 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -178.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.602 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 33.6 mtt -64.23 -33.5 75.94 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.64 -0.78 . . . . 0.0 110.4 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -53.57 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.547 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -58.57 -46.6 86.58 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.136 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.516 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 1.6 m -67.4 -46.15 74.08 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.925 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.6 97.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.963 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.42 -43.66 96.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.862 0.363 . . . . 0.0 110.492 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' C ' ' H ' ' A' ' 44' ' ' LYS . 3.0 mm -66.27 -44.31 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.534 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.624 ' CD2' ' H ' ' A' ' 52' ' ' TYR . 63.0 t-80 -52.81 -10.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.168 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 42' ' ' ILE . 16.6 tptp -84.09 -35.27 23.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.645 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.99 -31.49 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.022 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -131.28 95.93 23.14 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.525 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -76.32 -42.06 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.989 1.793 . . . . 0.0 111.6 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.48 -17.55 14.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.97 -60.1 3.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.928 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 30.4 p90 -172.6 165.61 5.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.481 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -94.13 109.46 21.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.624 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 67.7 t80 -63.04 -17.38 62.17 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.88 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.36 -24.3 37.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.715 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -75.6 -18.8 59.61 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.9 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -68.1 -179.9 1.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.021 0.439 . . . . 0.0 111.319 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 58' ' ' ALA . 12.6 t70 -159.16 137.0 7.32 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.321 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.492 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 1.8 Cg_endo -52.43 -11.17 1.06 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.909 1.739 . . . . 0.0 109.909 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -83.51 -10.11 58.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.132 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.44 57.08 0.77 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.939 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' A' ' 57' ' ' PRO . 88.4 mtm-85 -70.2 -51.01 34.26 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -51.9 -45.83 64.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.36 0.6 . . . . 0.0 110.484 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -67.01 -35.19 79.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.768 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.516 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 22.3 t-20 -62.36 -43.53 98.61 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.798 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.554 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 50.6 m-85 -67.91 -55.01 14.42 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.75 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.5 m -53.47 -43.57 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.122 0.487 . . . . 0.0 109.77 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.457 ' O ' ' OG1' ' A' ' 70' ' ' THR . 59.9 tp -60.9 -46.48 90.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.087 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.86 88.18 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.259 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -79.52 -47.57 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.746 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.7 m -61.28 -27.41 68.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.771 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 21.0 m -80.38 -46.2 16.44 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.047 178.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.47 83.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 76' ' ' ASP . 49.0 mt-10 -76.8 -47.12 22.48 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.195 0.522 . . . . 0.0 111.02 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -57.06 -46.07 82.74 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.706 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -79.23 -45.78 19.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.29 7.99 10.8 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 72' ' ' GLU . 53.6 t0 48.35 34.43 4.65 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.627 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.481 ' O ' ' O ' ' A' ' 76' ' ' ASP . 64.3 m -47.51 -167.04 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.681 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.57 171.2 11.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.529 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -129.95 42.64 3.25 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.972 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.03 -26.32 67.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.734 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -114.85 141.3 48.1 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.209 0.528 . . . . 0.0 112.38 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -111.42 132.57 54.35 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.187 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.0 t -47.49 -54.05 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.815 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 42.6 p-10 -54.18 -45.14 72.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.479 -178.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.586 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 98.8 m-20 -59.8 -44.22 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.55 0.691 . . . . 0.0 109.852 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.554 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 11.5 mtp -63.69 -44.79 92.63 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.554 0.692 . . . . 0.0 110.42 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.1 -49.52 83.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.064 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.532 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 11.4 ptm180 -70.38 -45.34 66.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.908 0.385 . . . . 0.0 111.923 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.532 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 67.9 mt -62.2 -53.71 51.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.045 -178.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.02 22.38 12.4 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -161.47 91.78 1.46 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 113.79 -1.55 . . . . 0.0 109.43 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.58 -179.82 4.87 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.82 1.68 . . . . 0.0 111.264 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.505 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 95.8 m-20 -114.78 127.72 55.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.879 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 t -50.09 -33.27 18.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.461 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.427 ' HZ3' ' CB ' ' A' ' 93' ' ' ASP . 17.0 pttp -70.94 -40.82 71.82 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.791 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.635 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 2.5 p -65.28 -47.24 77.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.635 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 93.4 t -63.23 -44.79 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 18.1 t80 -60.27 -50.68 72.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.001 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.8 m -57.59 -45.16 85.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.006 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -61.25 -49.32 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.39 0.614 . . . . 0.0 110.119 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.2 mm -60.4 -40.94 85.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.899 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.75 -61.32 2.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.823 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -58.95 -46.65 87.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.685 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.5 tp -58.73 -47.24 85.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.678 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -52.35 -46.82 66.29 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.62 0.724 . . . . 0.0 109.63 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.65 -40.3 91.5 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.983 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.3 m -59.68 -40.39 87.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.041 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.0 mt -69.52 -35.44 75.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.39 -49.08 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -65.93 -43.39 88.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.615 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -58.11 -27.49 63.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.332 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.53 17.81 61.43 Favored Glycine 0 N--CA 1.463 0.49 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.8 mt -76.08 -40.48 53.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.452 -0.874 . . . . 0.0 110.904 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.84 -36.9 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.98 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -94.47 62.16 2.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.871 0.367 . . . . 0.0 110.238 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.8 m -74.07 -55.86 5.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.414 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -140.97 132.49 26.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.117 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -96.25 135.29 38.26 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.693 -179.265 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -71.96 98.17 0.88 Allowed 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.218 1.945 . . . . 0.0 110.366 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.2 mt -106.72 12.0 29.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.478 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.89 107.69 0.41 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.0 p -72.52 -68.06 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.95 0.405 . . . . 0.0 110.328 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -59.98 -15.9 26.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.634 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -61.97 -39.4 92.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.818 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ttt -60.14 -43.56 95.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.09 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.85 -42.92 99.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.02 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.518 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 56.9 tp -60.55 -45.87 92.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.019 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -59.24 -55.14 38.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.493 1.14 . . . . 0.0 109.779 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -51.19 -61.03 2.49 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.523 -2.126 . . . . 0.0 111.329 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 13.9 p -52.88 -44.3 66.76 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.236 0.541 . . . . 0.0 111.019 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.614 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 73.8 mtp85 -62.98 -41.89 99.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.483 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.3 -24.1 67.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.496 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.437 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.8 mpp? -111.42 -1.94 15.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.712 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 96.3 m -106.55 -8.32 17.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.14 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -63.25 -55.05 28.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.557 0.694 . . . . 0.0 109.457 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -46.38 -25.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.548 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.487 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 26.0 m-85 -93.87 97.27 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.601 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.649 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.01 -179.71 1.59 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 -179.528 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.607 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 28.6 t-80 61.45 -2.46 0.24 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.807 0.813 . . . . 0.0 108.851 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.649 ' H ' ' C ' ' A' ' 21' ' ' GLU . 99.9 t -126.66 130.58 71.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.932 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -144.43 109.03 4.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.655 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.4 mt -85.4 91.26 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.555 0.693 . . . . 0.0 112.575 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -102.24 -0.24 33.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.85 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.627 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.0 OUTLIER -171.5 -178.43 2.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.45 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.416 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 79.9 m-85 -105.53 -10.78 16.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.16 0.505 . . . . 0.0 110.566 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.3 p -99.45 -76.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.539 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 22.0 m -58.73 -39.62 81.41 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.842 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.626 ' N ' HD22 ' A' ' 27' ' ' ASN . 36.6 m -73.36 1.37 9.76 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.353 -178.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 36.5 m95 -114.62 -8.01 12.73 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.786 -179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 t -54.71 -40.97 69.76 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.066 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.504 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.1 m -63.2 -23.54 67.48 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.589 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 77.12 -9.4 26.09 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 -178.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.523 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 64.3 mtp -64.62 -27.33 68.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.634 -0.783 . . . . 0.0 110.118 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.38 59.14 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.427 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -44.41 83.97 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.104 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' SG ' ' CG ' ' A' ' 63' ' ' ASN . 11.0 m -66.18 -46.3 77.85 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.078 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.94 99.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.535 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.52 -43.06 95.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 0.0 111.005 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mm -65.68 -41.74 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.581 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 37.8 t-80 -54.24 -48.02 71.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.365 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -44.2 -33.33 1.51 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.185 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -95.69 -27.22 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.082 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -126.12 97.85 34.13 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.463 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.7 Cg_endo -75.68 -39.17 1.07 Allowed 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.926 1.751 . . . . 0.0 111.68 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.54 6.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.586 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -70.56 -73.08 0.18 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.847 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 15.1 p90 -166.63 160.31 14.92 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.67 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -83.26 97.94 9.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.15 -22.66 63.15 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.903 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.2 -16.87 51.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.44 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -86.14 -19.94 29.38 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.617 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.0 mt -83.1 153.75 24.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 0.0 111.136 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 58' ' ' ALA . 3.4 m-20 -127.03 145.03 52.5 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.16 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -52.21 -11.53 1.11 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.099 1.866 . . . . 0.0 109.829 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.23 -44.5 68.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.612 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -89.16 61.92 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.169 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -73.56 -42.73 61.27 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -53.21 -47.5 68.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.387 0.613 . . . . 0.0 110.268 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -68.69 -33.11 73.4 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.716 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.589 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 9.0 t30 -63.08 -41.59 99.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.513 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 36.6 m-85 -68.01 -54.76 16.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.419 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.0 m -55.92 -43.25 77.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.606 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.38 -48.95 79.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.173 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.2 76.83 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.007 -179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.438 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 46.4 m-85 -81.66 -52.73 6.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -60.02 -30.22 69.02 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.91 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.3 m -78.1 -46.86 19.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.285 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.41 73.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -72.22 -49.53 34.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.492 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -59.54 -40.18 86.39 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.408 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.3 mt -78.61 -46.04 20.21 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.28 7.49 7.8 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 72' ' ' GLU . 93.1 m-20 47.02 35.77 3.62 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.013 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 76' ' ' ASP . 95.6 m -48.66 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.577 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' A' ' 72' ' ' GLU . . . -84.54 170.27 13.61 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.411 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -129.8 42.82 3.23 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.83 -26.5 66.95 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.545 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.09 142.3 44.71 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 121.24 0.543 . . . . 0.0 112.143 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' N ' ' OD2' ' A' ' 85' ' ' ASP . 96.8 mt-10 -114.34 128.89 56.57 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.352 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -44.6 -53.01 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.431 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -53.71 -47.11 70.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.524 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -63.81 -42.68 97.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.016 0.436 . . . . 0.0 110.106 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.523 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 8.5 mtp -62.33 -46.02 90.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.571 0.701 . . . . 0.0 109.744 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.6 t -68.3 -42.08 84.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.043 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -71.34 -47.97 53.25 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.8 -50.53 64.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.29 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 63.07 24.84 14.68 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -177.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 62.9 t -163.5 89.19 1.2 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 113.807 -1.542 . . . . 0.0 109.584 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.04 -174.45 1.56 Allowed 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.925 1.75 . . . . 0.0 111.372 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.527 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 46.1 t0 -122.21 129.38 52.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.31 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 t -49.45 -30.58 8.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.062 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' A' ' 99' ' ' THR . 63.7 tttm -71.94 -40.51 68.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.559 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.653 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 6.1 p -66.1 -46.99 75.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.201 0.524 . . . . 0.0 110.602 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.653 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 71.3 t -65.92 -44.59 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 15.2 t80 -58.1 -51.03 71.38 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 17.6 m -58.07 -42.67 86.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.007 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -60.65 -50.71 72.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.39 0.614 . . . . 0.0 110.269 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.0 mm -61.86 -41.71 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.119 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -49.93 -63.81 1.0 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.941 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.44 -44.97 89.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.897 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.448 ' O ' ' OG ' ' A' ' 107' ' ' SER . 39.6 tp -59.56 -46.85 87.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.694 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -51.77 -46.26 64.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.613 0.721 . . . . 0.0 109.53 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.141 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 104' ' ' LEU . 94.5 p -59.94 -41.37 91.67 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.965 179.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.6 -40.53 95.14 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.687 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.75 -45.56 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.577 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.01 -50.91 70.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -59.32 -25.04 63.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.309 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.06 20.4 57.58 Favored Glycine 0 N--CA 1.463 0.441 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.0 mt -74.01 -42.3 60.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.303 -0.949 . . . . 0.0 111.108 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.7 -36.35 77.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.478 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -89.93 58.32 4.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.477 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -94.13 -37.38 11.62 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.246 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -145.86 138.56 25.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.144 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -143.1 147.93 35.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.298 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.258 -179.771 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -69.5 -26.7 28.52 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.217 1.944 . . . . 0.0 110.212 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.19 -25.93 67.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.616 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.66 61.71 0.64 Allowed Glycine 0 N--CA 1.467 0.756 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 53.6 p -65.69 -60.71 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.118 0.485 . . . . 0.0 110.567 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' N ' ' OG ' ' A' ' 5' ' ' SER . 23.2 ttmt -45.66 -37.35 5.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.668 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.64 -41.61 99.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.038 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -57.98 -46.53 85.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.45 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.44 -44.27 95.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.389 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.17 -48.5 78.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.686 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -57.02 -51.9 67.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.544 1.164 . . . . 0.0 109.928 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -59.12 -60.39 3.95 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.446 -2.161 . . . . 0.0 111.307 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 8.2 p -52.58 -42.94 64.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.12 0.486 . . . . 0.0 111.0 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.616 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 70.6 ttp85 -59.94 -47.26 86.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.997 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.92 -39.73 55.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.407 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.444 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 18.1 mmt -78.77 -27.77 44.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.757 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.64 -16.31 59.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.619 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 20' ' ' TYR . 79.9 ttt180 -59.81 -62.98 1.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.708 0.766 . . . . 0.0 109.386 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.561 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 48.9 p-10 -39.11 -24.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.138 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.66 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 26.1 m-85 -98.12 158.93 15.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.611 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.573 ' C ' ' H ' ' A' ' 23' ' ' VAL . 80.5 mm-40 -121.18 176.99 5.33 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.791 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER 58.92 3.76 0.35 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.573 ' H ' ' C ' ' A' ' 21' ' ' GLU . 49.6 t -122.28 130.72 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.751 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -145.9 106.01 4.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.876 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.2 mt -82.05 94.86 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 112.321 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -105.99 -22.73 12.82 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.169 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' A' ' 29' ' ' SER . 20.0 m120 -155.19 136.8 14.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.359 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.462 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 46.3 m-85 -62.06 -6.11 2.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.151 0.5 . . . . 0.0 110.532 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.452 ' H ' ' C ' ' A' ' 27' ' ' ASN . 41.5 t -99.77 -76.29 0.55 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -58.04 -42.11 84.69 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.507 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.7 m -73.02 2.59 6.69 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.306 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.462 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.1 m95 -115.91 -9.72 11.76 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.801 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 p -58.34 -18.27 26.16 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.329 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.4 m -85.74 -23.66 27.23 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.727 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.541 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.41 -12.02 22.13 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 -178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.511 ' H ' ' C ' ' A' ' 34' ' ' SER . 41.2 mmm -61.76 -28.33 69.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.492 -0.854 . . . . 0.0 110.073 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -49.31 47.33 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.732 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -29.55 64.58 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.923 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 91.3 m -83.36 -45.12 14.1 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.309 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.1 99.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.668 -178.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.71 -42.33 97.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.03 0.443 . . . . 0.0 110.928 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mm -66.72 -40.97 87.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.397 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.66 ' HD1' ' HH ' ' A' ' 20' ' ' TYR . 31.7 t-80 -54.21 -49.92 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.371 -177.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.407 ' HG2' HD22 ' A' ' 19' ' ' ASN . 4.0 mmmt -43.92 -32.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.721 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.8 m-85 -95.07 -29.3 14.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.769 -178.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -123.99 99.63 37.69 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.457 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.52 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.9 Cg_endo -74.93 -38.68 1.52 Allowed 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 121.832 1.688 . . . . 0.0 111.811 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.2 2.75 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -62.08 -75.65 0.07 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.033 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 4.7 p90 -166.32 160.22 15.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.601 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -82.67 95.49 7.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 32.9 t80 -61.4 -19.82 62.36 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.938 0.399 . . . . 0.0 111.113 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.51 -14.77 57.97 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.804 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.47 -9.39 32.69 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.463 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -77.84 145.19 36.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.049 0.452 . . . . 0.0 111.004 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.41 169.2 7.43 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.212 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -74.04 -20.91 18.79 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.152 1.901 . . . . 0.0 110.32 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.78 74.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.231 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -77.6 44.5 0.45 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.238 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -65.83 -56.71 10.48 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 8.3 ptm180 -50.07 -46.35 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.193 0.521 . . . . 0.0 110.167 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.512 ' N ' ' CG ' ' A' ' 61' ' ' ARG . 86.6 m-70 -63.52 -31.75 73.0 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.605 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 25.1 t30 -62.32 -40.78 97.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.338 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.522 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 37.9 m-85 -68.76 -53.83 19.54 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.522 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.2 m -54.53 -42.18 70.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.4 tp -59.81 -48.55 81.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.028 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.89 79.33 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.984 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.53 -52.23 7.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.148 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.8 t -61.64 -29.1 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -79.27 -45.56 19.51 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.011 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.8 81.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.092 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 76' ' ' ASP . 98.2 mt-10 -74.17 -47.39 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.28 0.562 . . . . 0.0 110.759 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -59.04 -44.23 91.75 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.978 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.1 mt -80.55 -40.0 26.71 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.3 5.38 7.74 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.0 t0 47.44 33.42 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.878 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 76' ' ' ASP . 29.4 p -50.47 -164.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.607 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.03 167.61 16.7 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.157 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -135.44 38.74 2.89 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mt -69.98 -17.05 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.503 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.5 mt -110.06 144.78 38.15 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.263 0.554 . . . . 0.0 111.915 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.7 129.77 56.73 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.087 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 79.4 t -48.81 -53.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.584 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -54.82 -45.33 74.42 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.237 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -61.06 -44.93 96.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.098 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.522 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 10.2 mtp -62.85 -45.67 91.5 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.289 0.566 . . . . 0.0 110.263 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.25 -52.45 61.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.845 -1.071 . . . . 0.0 111.944 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.537 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 7.2 ptm180 -67.28 -44.76 78.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.785 0.326 . . . . 0.0 111.722 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.537 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 65.9 mt -62.17 -54.2 44.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.058 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 62.56 22.26 13.18 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.9 t -161.0 87.03 1.71 Allowed Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.506 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.52 -172.8 1.14 Allowed 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 121.847 1.698 . . . . 0.0 111.358 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -120.35 129.78 54.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.241 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.3 m -52.16 -31.63 32.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.966 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -71.2 -42.34 69.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.178 0.513 . . . . 0.0 110.058 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.4 m -63.49 -49.72 72.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.303 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 63.4 t -61.46 -43.9 97.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 14.3 t80 -57.7 -50.78 72.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.143 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.0 m -57.75 -43.69 85.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.903 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.52 -50.22 73.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.446 0.641 . . . . 0.0 110.231 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.97 -40.88 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.114 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.86 -60.49 3.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.863 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -59.56 -47.19 86.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.642 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.24 -46.04 89.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.906 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -51.42 -47.45 63.0 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.66 0.743 . . . . 0.0 109.711 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.1 mtp-105 -60.19 -38.74 84.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.134 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 t -61.15 -41.39 96.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.979 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.84 -36.37 82.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.39 -48.49 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.899 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -66.61 -47.7 71.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -55.81 -28.8 58.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.192 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.3 18.87 56.59 Favored Glycine 0 N--CA 1.465 0.57 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.6 mt -74.37 -42.38 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.464 -0.868 . . . . 0.0 110.866 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.01 -35.67 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.102 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -98.51 72.73 2.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.074 0.464 . . . . 0.0 110.204 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -111.77 -35.85 5.62 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.479 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -49.19 -62.88 1.3 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.425 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -53.07 155.73 2.41 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.26 -179.73 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -70.13 -30.83 19.97 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.212 1.941 . . . . 0.0 110.376 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.49 -39.46 93.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.648 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 6' ' ' LYS . . . -76.38 142.12 27.72 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 7' ' ' ASN . 70.9 p -47.54 -15.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 0.0 110.414 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 4' ' ' GLY . 46.5 mtmt -66.63 6.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.636 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 5' ' ' SER . 41.1 t30 -71.42 -41.01 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.415 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.4 tpt -52.72 -56.33 16.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.568 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.69 -44.32 90.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.23 -47.28 86.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.44 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.5 -50.3 73.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.594 1.188 . . . . 0.0 110.021 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -59.69 -61.85 2.31 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 112.574 -2.103 . . . . 0.0 111.588 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.46 ' O ' ' OG1' ' A' ' 17' ' ' THR . 2.6 m -52.27 -44.13 64.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.934 0.397 . . . . 0.0 111.081 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -57.59 -45.51 85.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.352 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.7 -41.56 61.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.203 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.8 mmt -84.21 -10.32 57.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.775 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 4.0 m -89.42 -17.41 28.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.027 0.442 . . . . 0.0 111.286 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -62.58 -55.16 29.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.574 0.702 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -51.28 -30.0 16.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.701 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.49 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 25.8 m-85 -89.15 149.85 22.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.717 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' C ' ' H ' ' A' ' 23' ' ' VAL . 98.9 mt-10 -119.7 173.65 6.89 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.669 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.616 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 43.4 t-80 63.06 0.81 0.77 Allowed 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.561 ' H ' ' C ' ' A' ' 21' ' ' GLU . 96.0 t -125.76 128.67 72.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.746 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 99.6 m-20 -140.71 108.56 5.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.6 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -84.71 88.87 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.561 0.696 . . . . 0.0 112.632 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.481 ' H ' ' HG ' ' A' ' 31' ' ' SER . 94.8 mt-30 -92.93 -24.87 18.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.121 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.605 ' H ' ' HG ' ' A' ' 31' ' ' SER . 27.5 m120 -147.84 -173.96 4.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.221 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.431 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 55.5 m-85 -105.59 -12.02 16.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.987 0.422 . . . . 0.0 110.469 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.2 m -104.04 -71.84 0.72 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 t -60.41 -42.88 96.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.517 -178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.605 ' HG ' ' H ' ' A' ' 27' ' ' ASN . 17.0 m -71.32 1.94 5.5 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.216 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.431 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 33.5 m95 -113.85 -6.1 13.23 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.538 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.1 p -62.52 -3.8 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.567 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.508 ' C ' ' H ' ' A' ' 36' ' ' MET . 9.0 t -90.94 -25.78 19.6 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.598 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.8 -15.08 16.08 Favored Glycine 0 CA--C 1.517 0.177 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 58.0 mtp -65.85 -32.25 73.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.64 -0.78 . . . . 0.0 110.091 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.34 -53.43 57.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.431 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -57.45 -44.95 85.16 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.041 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 63' ' ' ASN . 3.6 m -66.9 -45.59 77.49 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.4 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.33 98.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.372 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.3 tp -65.5 -42.51 92.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.933 0.397 . . . . 0.0 111.157 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.53 -43.07 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.569 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.49 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 48.7 t-80 -54.36 -47.28 72.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.069 0.461 . . . . 0.0 111.499 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -42.62 -34.96 0.97 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.337 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -99.25 -21.89 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 85.6 m-85 -127.64 64.42 63.61 Favored Pre-proline 0 C--O 1.215 -0.736 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.54 -38.54 16.46 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.844 1.696 . . . . 0.0 111.74 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.29 -28.49 66.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' PHE . . . -34.37 -72.63 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.709 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -167.69 162.33 13.94 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.53 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -80.82 89.62 5.83 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -52.68 -23.39 6.55 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.038 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.94 -17.4 50.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -88.54 -17.98 29.1 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -80.63 151.86 28.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.056 0.455 . . . . 0.0 111.533 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -119.46 162.86 30.19 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.194 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -73.94 -18.34 21.66 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.097 1.865 . . . . 0.0 110.585 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.03 92.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.385 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -91.38 51.3 1.88 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.092 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -65.06 -42.23 94.4 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -52.83 -52.87 55.44 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.55 0.69 . . . . 0.0 110.618 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -60.61 -32.49 71.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.229 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.464 ' CG ' ' SG ' ' A' ' 39' ' ' CYS . 4.0 t-20 -63.62 -40.54 97.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.034 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.3 m-85 -65.28 -57.87 7.37 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.033 -0.667 . . . . 0.0 109.358 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.6 m -53.49 -43.49 68.26 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.748 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.86 -48.16 82.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.078 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.12 90.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.047 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.55 -46.72 21.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.945 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.7 p -66.36 -26.32 67.22 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.803 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -76.61 -48.95 17.5 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.443 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -63.38 -33.8 76.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.955 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 76' ' ' ASP . 81.0 tt0 -71.6 -50.8 27.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.962 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -61.97 -40.84 96.96 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.915 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.5 mt -85.28 -40.15 16.91 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -119.91 -0.87 10.55 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' GLU . 58.2 t0 49.96 28.99 3.14 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 119.571 -0.852 . . . . 0.0 109.784 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.451 ' O ' ' O ' ' A' ' 76' ' ' ASP . 14.3 p -49.72 -165.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.743 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.88 169.93 12.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -133.92 38.2 3.2 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.002 0.429 . . . . 0.0 109.866 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.24 -19.89 66.17 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.359 -178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.16 143.59 42.95 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.348 0.594 . . . . 0.0 112.039 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 95.8 mt-10 -114.29 134.09 55.2 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.466 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.0 t -51.59 -53.25 17.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.563 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -52.25 -45.02 65.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.443 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.6 OUTLIER -64.94 -41.47 95.48 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.19 0.519 . . . . 0.0 110.554 -179.646 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.509 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.0 mtp -61.94 -45.45 93.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.69 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.57 -44.33 93.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.024 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -71.46 -48.8 47.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.8 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.58 -52.47 60.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.138 0.494 . . . . 0.0 110.541 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.422 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 59.11 26.58 15.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -177.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 73.5 t -163.34 87.52 1.27 Allowed Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.833 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -72.41 -170.91 0.63 Allowed 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 121.908 1.738 . . . . 0.0 111.348 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.502 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 57.5 t0 -126.23 130.16 50.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.946 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.8 p -47.02 -30.24 2.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.532 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.449 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -75.8 -34.77 60.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.48 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.618 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 4.9 p -68.16 -47.86 66.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.905 0.383 . . . . 0.0 110.597 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.618 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 97.2 t -67.13 -43.86 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.228 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 20.5 t80 -59.95 -51.09 71.17 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.088 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 31.0 m -58.69 -43.06 89.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.165 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -62.01 -50.63 71.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.264 0.554 . . . . 0.0 110.204 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.5 mm -61.59 -40.82 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.143 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -50.17 -62.26 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.81 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -57.55 -43.83 84.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.693 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.08 -45.38 94.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -53.97 -47.78 71.02 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.482 0.658 . . . . 0.0 109.696 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -60.4 -43.51 96.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.867 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -58.48 -40.94 84.13 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.772 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.64 -39.11 93.52 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.577 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.87 -46.46 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.416 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.67 -47.93 79.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -60.73 -22.57 64.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.85 19.86 72.02 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.03 -43.27 54.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.431 -0.885 . . . . 0.0 111.233 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 67.5 t -42.86 -65.49 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -74.4 67.19 1.42 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.911 0.386 . . . . 0.0 110.482 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.0 m -64.73 -61.42 2.2 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.049 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -52.84 143.79 15.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.261 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.19 120.51 24.64 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.211 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 64.3 pttt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.634 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.604 ' C ' ' H ' ' A' ' 4' ' ' GLY . 2.8 Cg_endo -71.78 58.79 2.69 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.417 2.078 . . . . 0.0 109.986 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.8 25.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.682 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.604 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . 130.21 85.8 0.4 Allowed Glycine 0 N--CA 1.464 0.524 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -53.84 -33.39 56.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.947 0.403 . . . . 0.0 110.23 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -76.9 1.21 18.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.632 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 9.3 t30 -65.34 -39.39 92.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.7 ttt -58.76 -45.88 88.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.197 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.77 -47.64 85.38 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.136 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.85 -44.54 94.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -59.99 -55.47 33.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.713 1.244 . . . . 0.0 109.954 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -51.52 -61.98 1.91 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 112.501 -2.136 . . . . 0.0 111.354 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' O ' ' OG1' ' A' ' 17' ' ' THR . 1.4 t -53.28 -44.66 68.43 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.306 0.574 . . . . 0.0 111.22 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -60.62 -35.75 76.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.529 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -17.52 59.17 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.415 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 ptp -120.87 -3.28 9.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.643 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 14.1 m -88.54 -13.36 40.34 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.252 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -65.53 -40.72 93.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.677 0.751 . . . . 0.0 109.624 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.628 ' ND2' ' HZ3' ' A' ' 44' ' ' LYS . 72.3 m-20 -57.99 -34.45 70.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.037 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.528 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 69.8 m-85 -93.46 152.39 19.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.796 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 23' ' ' VAL . 94.7 mt-10 -117.82 173.41 6.77 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.666 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.628 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 47.0 t-80 64.31 6.67 3.13 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 122.062 0.935 . . . . 0.0 108.805 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' GLU . 63.9 t -126.14 127.96 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.186 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -140.67 108.56 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.778 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.02 89.0 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.475 0.655 . . . . 0.0 112.483 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.48 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 75.4 mt-30 -99.1 -26.03 14.35 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.102 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 26' ' ' GLN . 12.5 m120 -149.64 -174.91 4.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.354 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 89.1 m-85 -104.99 -11.51 16.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.218 0.533 . . . . 0.0 110.422 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.9 p -105.41 -72.64 0.7 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.979 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -60.65 -44.04 96.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.333 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -70.17 -0.72 8.35 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.918 -178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.464 ' C ' ' H ' ' A' ' 34' ' ' SER . 29.7 m95 -112.47 -4.16 14.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.016 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -62.24 0.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.214 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.54 ' C ' ' H ' ' A' ' 36' ' ' MET . 59.8 p -96.52 -25.04 15.78 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.701 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.69 -13.95 11.18 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 -178.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.54 ' H ' ' C ' ' A' ' 34' ' ' SER . 3.0 mmt -64.7 -27.47 68.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.553 -0.823 . . . . 0.0 110.305 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 -51.93 62.05 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.766 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -58.27 -45.68 87.42 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.099 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.541 ' HG ' ' CG ' ' A' ' 63' ' ' ASN . 4.5 m -66.53 -47.06 74.11 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.264 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.485 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -61.64 -41.92 98.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.323 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.31 -43.4 94.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 110.886 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mm -67.21 -43.92 88.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.718 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.528 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 46.1 t-80 -57.95 -10.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.547 -178.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.628 ' HZ3' ' ND2' ' A' ' 19' ' ' ASN . 46.6 tptt -71.65 -39.22 70.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.802 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -104.97 -9.64 17.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.83 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -129.3 94.59 32.81 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.557 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -75.71 -36.11 2.32 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.924 1.749 . . . . 0.0 111.518 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -69.37 -1.49 8.44 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -61.32 -75.85 0.06 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.894 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.1 p90 -167.19 160.97 14.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.668 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -83.62 93.34 7.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -59.84 -21.66 61.23 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.928 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.77 -8.62 59.73 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -101.67 -14.99 17.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.435 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.26 150.4 40.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 110.98 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.02 164.63 16.17 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.06 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.24 -24.35 14.62 Favored 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 122.161 1.907 . . . . 0.0 110.068 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.5 85.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.366 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -80.67 51.47 1.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.579 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -72.12 -44.93 62.41 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -53.26 -46.39 69.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.304 0.573 . . . . 0.0 109.984 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -66.79 -33.25 75.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.541 ' CG ' ' HG ' ' A' ' 39' ' ' CYS . 17.1 t-20 -62.49 -41.34 98.74 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.052 0.453 . . . . 0.0 110.475 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.447 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 48.2 m-85 -69.05 -53.4 20.59 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.736 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 m -56.6 -43.14 79.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.01 -47.77 84.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.096 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.34 78.93 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.94 -0.704 . . . . 0.0 109.969 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 42.2 m-85 -82.38 -51.4 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.975 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.4 p -60.64 -29.86 69.51 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.79 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.7 m -76.64 -49.34 16.44 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.366 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.7 -29.67 70.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 76' ' ' ASP . 44.2 tt0 -70.28 -52.47 22.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.081 0.467 . . . . 0.0 110.53 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -61.69 -37.03 82.64 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.866 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.7 mt -80.35 -44.81 18.82 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.2 5.54 7.1 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.6 t0 47.1 33.9 2.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.898 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.1 t -48.83 -165.74 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.599 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.02 169.95 13.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.362 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.414 ' NE2' ' OE2' ' A' ' 72' ' ' GLU . 74.4 mt-30 -131.86 42.18 3.19 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.11 -23.53 64.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.399 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -110.46 141.98 42.83 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 121.181 0.515 . . . . 0.0 112.09 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 68.4 mm-40 -115.07 128.84 56.49 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.547 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.2 t -44.21 -53.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.444 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -53.88 -47.67 70.84 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.331 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -62.68 -43.43 98.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 110.315 -179.529 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.522 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 6.9 mtp -61.96 -45.58 93.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.6 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.24 -41.64 84.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.9 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -71.96 -48.76 42.87 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.729 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.52 -49.61 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.263 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 56.48 29.22 14.99 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 92' ' ' PRO . 73.4 t -161.01 60.91 1.34 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 113.785 -1.552 . . . . 0.0 109.893 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.502 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.4 Cg_endo -44.99 -179.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 121.965 1.777 . . . . 0.0 111.41 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -118.51 130.61 56.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.317 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 m -49.44 -33.4 14.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.038 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' O ' ' OG1' ' A' ' 99' ' ' THR . 25.8 ttpp -73.44 -36.69 65.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.55 179.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.4 m -66.43 -51.88 52.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.64 -43.47 94.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 28.6 t80 -60.09 -50.83 72.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.966 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 18.7 m -58.07 -43.27 86.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.029 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -63.0 -51.07 68.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.492 0.663 . . . . 0.0 110.171 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.0 mm -60.26 -40.2 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.961 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -52.68 -59.43 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.653 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.31 -45.6 90.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.551 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.01 -46.35 88.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.621 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -53.26 -47.66 68.9 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.76 0.791 . . . . 0.0 109.687 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -61.24 -43.02 99.55 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.235 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.5 m -58.63 -40.97 84.88 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.089 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.14 -40.11 94.84 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.973 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.95 -45.5 98.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -62.23 -50.4 71.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.3 -17.05 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.235 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.9 20.79 77.51 Favored Glycine 0 N--CA 1.464 0.537 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.8 mt -72.88 -43.4 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.381 -0.91 . . . . 0.0 111.024 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -36.44 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.402 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -82.16 58.66 4.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.137 0.494 . . . . 0.0 110.299 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.7 m -100.07 -7.26 25.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.335 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' LYS . 14.2 mptt -54.98 -73.4 0.05 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.333 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' LYS . 63.0 tttm -40.79 131.59 2.38 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.338 -179.108 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -71.2 114.69 3.99 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.365 2.043 . . . . 0.0 110.675 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.2 mt -70.05 -32.7 70.95 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.507 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.66 38.61 9.45 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -68.89 -61.22 1.89 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 110.982 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -97.87 1.73 48.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.615 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -69.94 -38.61 76.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.951 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 tpt -56.42 -48.78 76.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.198 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.76 -43.38 93.49 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.482 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.8 -46.81 87.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.454 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -59.31 -51.14 71.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.525 1.155 . . . . 0.0 109.989 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -57.62 -60.9 2.98 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.382 -2.19 . . . . 0.0 111.241 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' THR . 6.9 m -54.25 -45.24 72.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.123 0.487 . . . . 0.0 110.798 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.586 HH12 ' CZ ' ' A' ' 18' ' ' ARG . 69.3 ttp85 -61.92 -51.07 69.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.694 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.27 26.91 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.289 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 13.9 mtm -112.69 -3.6 14.23 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.652 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' CYS . 95.3 m -113.98 -6.7 13.15 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.586 ' CZ ' HH12 ' A' ' 14' ' ' ARG . 38.5 ttm180 -63.69 -59.9 3.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -45.05 -20.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.644 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.557 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 12.2 m-85 -90.27 104.24 16.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.816 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.643 ' C ' ' H ' ' A' ' 23' ' ' VAL . 80.3 mm-40 -72.17 178.7 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.769 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.552 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 26.2 t-80 63.59 -4.43 0.33 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.643 ' H ' ' C ' ' A' ' 21' ' ' GLU . 58.4 t -128.6 129.86 68.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.939 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -143.44 108.89 5.06 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.642 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 mt -76.52 97.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -109.59 -12.05 14.71 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.754 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 22.2 t-20 -170.17 -178.13 2.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.348 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.52 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 64.0 m-85 -99.74 -9.76 22.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.136 0.493 . . . . 0.0 110.344 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 t -107.77 -69.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.557 ' HG ' ' N ' ' A' ' 31' ' ' SER . 77.6 p -58.39 -45.57 88.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.069 -177.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.557 ' N ' ' HG ' ' A' ' 30' ' ' SER . 4.9 t -72.31 1.26 8.09 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.973 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.402 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 32.8 m95 -113.54 -8.58 13.33 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.699 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -54.84 -23.3 17.77 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.666 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 36' ' ' MET . 79.5 p -77.89 -21.08 51.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 75.87 -8.92 19.53 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 -178.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.506 ' H ' ' C ' ' A' ' 34' ' ' SER . 4.8 mmt -65.28 -29.19 69.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.517 -0.842 . . . . 0.0 110.458 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -52.32 65.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.409 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CZ ' ' CD1' ' A' ' 81' ' ' LEU . 27.4 m-85 -57.06 -44.09 82.69 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.972 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.47 ' SG ' ' CG ' ' A' ' 63' ' ' ASN . 3.5 m -71.03 -44.63 65.44 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.46 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.75 95.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.484 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.32 -42.75 99.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.594 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.0 mm -67.76 -42.78 86.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.355 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 29.9 t-80 -57.41 -13.7 3.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.28 -178.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -74.58 -39.27 62.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.802 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.84 -19.35 18.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.71 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -126.24 99.07 31.55 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.476 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -75.06 -37.84 1.82 Allowed 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.929 1.753 . . . . 0.0 111.763 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.65 -7.26 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -52.5 -76.36 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.955 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.509 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 7.3 p90 -168.26 162.11 12.54 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.663 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.87 90.15 6.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -58.61 -21.03 52.33 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.06 -13.48 59.27 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.452 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -93.4 -15.39 25.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.38 150.78 36.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.61 170.05 8.68 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.165 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -75.05 -11.79 21.4 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.275 1.983 . . . . 0.0 110.171 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.82 -8.38 58.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.931 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -112.15 49.77 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.264 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.4 mtm-85 -69.99 -51.42 32.63 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -52.42 -45.04 65.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.335 0.588 . . . . 0.0 110.25 -178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -66.69 -36.17 81.89 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.47 ' CG ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 t-20 -62.45 -42.75 99.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.455 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.1 m-85 -67.43 -54.26 21.87 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.81 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.0 m -56.37 -44.41 80.14 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.371 -0.532 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 70' ' ' THR . 58.2 tp -61.34 -46.01 92.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.236 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.74 89.31 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.138 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 40.2 m-85 -80.39 -48.08 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.985 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -61.93 -29.09 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.009 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 28.8 m -79.03 -45.93 19.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.254 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.77 81.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.006 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 76' ' ' ASP . 95.7 mt-10 -72.18 -47.36 51.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.245 0.545 . . . . 0.0 110.841 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.76 -41.98 98.38 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.838 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.1 mt -78.37 -40.21 36.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.19 7.73 5.05 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 72' ' ' GLU . 89.0 m-20 45.6 38.96 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.015 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.476 ' O ' ' O ' ' A' ' 76' ' ' ASP . 15.1 p -47.72 -166.39 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.648 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.15 169.8 13.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.443 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -126.15 68.98 1.2 Allowed 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mt -101.94 -22.6 14.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.399 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' CD1' ' CZ ' ' A' ' 38' ' ' PHE . 22.2 mt -113.49 137.05 52.1 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.181 0.515 . . . . 0.0 112.024 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.65 128.54 56.42 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.064 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -47.76 -52.43 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.865 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -54.61 -45.92 73.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.399 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.22 -42.94 99.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.996 0.427 . . . . 0.0 110.391 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.455 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.6 mtp -61.47 -42.53 98.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.501 0.667 . . . . 0.0 110.082 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.22 -43.81 98.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.213 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -73.28 -47.82 39.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.793 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.6 mt -53.02 -62.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 71.63 17.8 5.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 -177.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 55.1 t -163.77 91.98 1.1 Allowed Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.31 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -70.73 176.37 7.59 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.88 1.72 . . . . 0.0 111.747 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 97.1 m-20 -113.68 128.5 56.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.192 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.3 m -50.35 -33.9 22.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.221 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' A' ' 99' ' ' THR . 16.3 tptm -68.29 -42.39 79.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.827 179.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 1.7 p -65.41 -46.92 78.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.604 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.642 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 94.5 t -62.86 -45.14 99.6 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 19.1 t80 -61.1 -51.21 70.08 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.165 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 18.8 m -57.86 -42.66 84.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.854 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.09 -50.22 74.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.448 0.642 . . . . 0.0 110.159 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.9 mm -61.02 -41.04 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -51.96 -60.86 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.752 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 99' ' ' THR . 4.7 mp0 -58.67 -45.42 89.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.753 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.447 ' O ' ' OG ' ' A' ' 107' ' ' SER . 56.0 tp -59.74 -45.35 92.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.772 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -53.02 -46.88 68.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.784 0.802 . . . . 0.0 109.412 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.13 -42.48 98.62 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.866 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 104' ' ' LEU . 97.3 p -60.2 -36.92 78.74 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.938 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.22 -41.37 97.06 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.118 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.75 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -53.53 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -55.3 -19.22 7.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.241 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.23 20.69 71.96 Favored Glycine 0 N--CA 1.462 0.375 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.77 -46.79 28.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.375 -0.912 . . . . 0.0 111.143 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -68.85 -42.2 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.819 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -83.08 68.26 9.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.51 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.9 m -71.62 -53.67 12.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.401 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -145.87 148.02 32.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -120.73 148.46 43.93 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 59.1 pttt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.591 -179.783 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.112 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -70.17 -20.18 33.21 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.282 1.988 . . . . 0.0 110.07 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.8 mt -62.06 -32.05 72.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.513 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.13 78.13 0.32 Allowed Glycine 0 N--CA 1.466 0.677 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 53.4 p -67.14 -61.49 1.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.088 0.471 . . . . 0.0 110.584 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' N ' ' OG ' ' A' ' 5' ' ' SER . 24.1 pttm -50.47 -34.2 24.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.644 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -60.84 -41.54 96.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.857 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.4 tpt -60.71 -48.41 81.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.397 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.7 -40.57 92.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.283 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.464 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 39.8 tp -62.47 -49.36 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.808 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.0 -54.28 48.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.637 1.208 . . . . 0.0 110.245 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -53.73 -60.98 2.61 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.323 -2.217 . . . . 0.0 111.566 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.599 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 15.6 p -53.97 -44.49 70.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.028 0.442 . . . . 0.0 111.14 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.599 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 58.8 ttt85 -60.38 -52.01 67.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.633 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.27 -18.6 0.99 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.508 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.4 mtm -113.9 -0.78 14.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.911 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -103.66 -10.03 18.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.083 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -65.86 -50.58 64.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.514 0.673 . . . . 0.0 109.754 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -48.03 -27.53 2.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.696 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -87.96 150.66 23.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.659 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 22' ' ' HIS . 28.1 tt0 -114.77 167.92 10.35 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.73 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.608 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 50.1 t-80 66.17 4.06 2.96 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 21' ' ' GLU . 99.0 t -126.09 128.39 71.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.18 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OG ' ' A' ' 31' ' ' SER . 66.6 t0 -143.19 108.19 4.94 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.6 mt -79.98 98.04 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -112.34 -6.48 14.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.002 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.635 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.0 OUTLIER -177.4 137.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.455 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 62.7 m-85 -60.5 -7.71 2.3 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.286 0.565 . . . . 0.0 110.672 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.443 ' H ' ' C ' ' A' ' 27' ' ' ASN . 60.5 p -97.39 -77.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -58.27 -41.73 84.95 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.472 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 43.0 t -73.57 3.78 5.78 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.697 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.486 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 37.4 m95 -115.25 -9.53 12.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.681 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.0 m -54.28 -38.8 66.28 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.264 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -65.67 -23.81 66.87 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 81.36 -7.42 61.01 Favored Glycine 0 N--CA 1.458 0.143 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.431 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 15.3 mmm -61.57 -29.1 69.8 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.609 -0.795 . . . . 0.0 110.537 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.81 -50.98 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.751 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -57.87 -43.34 85.93 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.134 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.627 ' HG ' ' N ' ' A' ' 40' ' ' ALA . 16.1 p -70.98 -45.9 63.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.031 0.443 . . . . 0.0 111.333 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.627 ' N ' ' HG ' ' A' ' 39' ' ' CYS . . . -61.95 -43.6 98.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.755 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.78 -41.89 95.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.016 0.436 . . . . 0.0 111.029 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.406 HG22 HD12 ' A' ' 42' ' ' ILE . 9.4 mm -64.94 -40.06 87.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.487 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -54.87 -48.44 72.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.554 -177.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -33.31 1.54 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.702 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -95.38 -27.03 15.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.791 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -126.93 99.87 28.38 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.485 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.41 -35.33 3.86 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.798 1.665 . . . . 0.0 111.757 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.96 -16.41 63.85 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.29 -73.68 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.264 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -169.93 164.52 9.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.667 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -86.47 105.44 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -63.64 -19.08 64.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.61 -22.6 34.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.671 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -85.11 -16.53 40.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.1 mt -82.96 149.26 27.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.037 0.446 . . . . 0.0 111.128 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.75 165.72 19.08 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.238 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.15 -12.88 21.22 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.189 1.926 . . . . 0.0 110.181 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.15 -9.01 59.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.17 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -113.23 55.16 0.71 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.088 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.406 HH11 ' HG3' ' A' ' 60' ' ' ARG . 85.1 mtm-85 -70.5 -47.86 58.45 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -54.62 -47.81 72.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.294 0.568 . . . . 0.0 110.473 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -65.08 -35.01 79.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 9.9 t-20 -63.55 -43.55 96.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 47.9 m-85 -65.07 -54.56 28.15 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.67 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -56.32 -43.45 79.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.7 tp -62.24 -45.94 91.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.131 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.17 96.28 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.043 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -78.63 -52.08 8.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.944 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.5 p -59.75 -27.18 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.7 m -78.8 -45.03 21.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.28 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.68 78.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.004 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' A' ' 76' ' ' ASP . 96.8 mt-10 -71.34 -52.01 21.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.088 0.471 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -60.04 -40.05 88.05 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.005 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -83.95 -36.35 23.33 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HA ' ' HZ1' ' A' ' 111' ' ' LYS . . . -128.23 2.29 5.77 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -177.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 72' ' ' GLU . 91.4 m-20 47.86 37.81 7.94 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.0 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 76' ' ' ASP . 20.1 p -47.36 -168.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.652 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.9 171.29 12.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.342 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -123.99 56.58 1.24 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.89 -25.28 19.91 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.641 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -118.36 137.5 53.06 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.142 0.496 . . . . 0.0 112.005 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -109.58 143.91 38.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.192 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.8 t -57.59 -52.7 54.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.677 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -55.88 -45.98 78.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.178 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -62.29 -45.04 95.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.016 0.436 . . . . 0.0 110.303 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.444 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.7 mtp -60.98 -42.27 98.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.708 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.3 t -66.75 -45.37 88.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.206 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.85 -48.07 64.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.904 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.9 mt -62.5 -53.85 48.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.085 0.469 . . . . 0.0 110.461 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.403 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 61.27 24.77 14.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 52.9 t -162.51 90.12 1.33 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 113.791 -1.55 . . . . 0.0 109.535 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -73.09 -175.16 1.82 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.956 1.771 . . . . 0.0 111.353 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -119.21 131.29 55.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.319 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.5 p -48.37 -32.42 7.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.883 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -76.76 -32.65 57.87 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.381 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -67.61 -52.28 40.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.481 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.35 -43.85 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 18.9 t80 -59.41 -51.48 69.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.071 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.1 m -58.73 -44.25 90.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.807 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -61.01 -50.39 73.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.45 0.643 . . . . 0.0 109.957 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.2 mm -60.61 -39.69 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.897 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -52.49 -59.49 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.84 -45.88 91.04 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.627 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 41.1 tp -61.06 -44.29 97.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.785 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 90.0 t80 -54.42 -48.25 71.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.629 0.728 . . . . 0.0 109.741 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.8 mtp-105 -60.57 -42.9 97.59 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.023 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.6 m -57.96 -41.1 82.18 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.868 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.27 -41.11 98.18 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.12 -46.57 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.759 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.56 -48.23 81.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.406 ' HZ1' ' HA ' ' A' ' 75' ' ' ALA . 97.9 mttt -63.9 -14.57 54.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.43 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.08 21.89 79.0 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.5 mt -72.35 -46.27 56.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.459 -0.87 . . . . 0.0 110.961 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 t -79.3 -34.3 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.313 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -95.91 99.35 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.818 0.342 . . . . 0.0 110.371 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.85 -17.92 11.44 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.19 106.31 1.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.295 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -124.43 118.44 26.67 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.434 -179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 3.0 Cg_endo -71.28 -50.85 0.29 Allowed 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.163 1.908 . . . . 0.0 110.77 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.8 mt -63.55 -42.12 98.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.52 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.37 127.51 5.84 Favored Glycine 0 N--CA 1.466 0.652 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -69.66 -62.92 1.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.718 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -50.45 -31.91 16.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -61.91 -39.9 93.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -61.08 -43.76 98.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.3 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.78 -45.01 91.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.74 -45.84 92.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.11 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.24 -53.04 62.37 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 122.485 1.136 . . . . 0.0 109.8 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -54.17 -59.23 4.94 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 112.749 -2.023 . . . . 0.0 111.283 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' THR . 10.0 t -55.75 -40.59 72.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.114 0.483 . . . . 0.0 110.972 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -61.36 -45.13 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.551 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -28.38 61.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.848 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.67 -7.67 13.83 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.837 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' CYS . 52.2 m -99.46 -11.34 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.634 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -69.54 -46.08 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 109.105 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 47.0 p-10 -48.12 -25.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.949 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 59.3 m-85 -96.34 104.48 16.45 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.562 ' C ' ' H ' ' A' ' 23' ' ' VAL . 13.9 pt-20 -66.63 179.6 1.02 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.321 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.58 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 45.8 t-80 62.17 -0.23 0.5 Allowed 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.562 ' H ' ' C ' ' A' ' 21' ' ' GLU . 49.0 t -128.29 129.17 69.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.012 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -144.85 109.48 4.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.536 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.9 mt -72.93 101.46 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -105.44 -33.3 8.19 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.048 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -158.98 144.34 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.896 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.454 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 43.9 m-85 -61.44 -8.17 3.83 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.832 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -99.09 -76.82 0.53 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.6 p -60.99 -37.67 83.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.429 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -72.94 -0.11 12.74 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.075 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.454 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 37.6 m95 -115.54 -8.62 12.13 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.374 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 t -58.5 -17.2 19.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.434 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 36' ' ' MET . 54.2 p -86.03 -21.6 27.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.542 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.9 -11.51 27.63 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.457 ' H ' ' C ' ' A' ' 34' ' ' SER . 24.4 mmm -61.99 -32.6 73.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.691 -0.755 . . . . 0.0 110.214 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.23 -51.7 62.38 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.853 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.47 -45.31 84.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.722 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 14.9 p -69.71 -45.04 69.13 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.632 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.573 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.34 -42.15 99.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 tp -64.04 -42.54 97.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.743 0.306 . . . . 0.0 110.97 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.2 mm -65.16 -42.9 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.602 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 39.9 t-80 -57.03 -41.02 77.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -37.93 29.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.853 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -88.97 -26.83 21.29 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -128.66 97.28 27.88 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.55 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.6 Cg_endo -75.06 -38.9 1.36 Allowed 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.074 1.849 . . . . 0.0 112.05 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -66.78 -0.87 3.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.515 0.674 . . . . 0.0 109.378 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -64.12 -64.82 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.306 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.485 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 13.1 p90 -171.38 163.12 6.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.026 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -86.62 94.04 9.36 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -56.67 -23.21 40.11 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.92 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.31 -17.01 53.31 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.22 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -86.19 -18.0 33.36 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.073 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.9 -173.48 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.998 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.33 164.93 19.7 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.73 -13.12 20.03 Favored 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 121.648 1.565 . . . . 0.0 109.961 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.82 -9.0 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.387 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -116.05 45.2 1.79 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.106 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -64.88 -47.03 79.33 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -52.33 -46.42 66.05 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.314 0.578 . . . . 0.0 110.055 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -67.55 -34.58 77.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.233 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 49.0 t30 -61.42 -42.67 99.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.978 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 55.5 m-85 -66.83 -55.71 13.64 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.534 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.3 m -53.83 -42.55 68.59 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.457 ' O ' ' OG1' ' A' ' 70' ' ' THR . 65.5 tp -60.95 -48.83 80.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.58 81.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.294 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -79.21 -46.74 17.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.0 t -63.34 -29.73 70.99 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.046 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 21.2 m -76.25 -47.69 22.93 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.25 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.7 -34.91 78.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.9 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 93.1 mt-10 -71.78 -49.71 36.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 111.002 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.83 -41.11 95.14 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.961 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.8 mt -79.93 -43.69 21.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.45 8.31 7.74 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 29.3 t0 45.99 40.14 6.57 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.675 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.9 t -50.95 -164.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.539 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.58 170.77 10.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.487 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -128.32 41.33 3.51 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.759 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.34 -26.68 66.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.525 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mt -117.27 140.77 49.13 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.276 0.56 . . . . 0.0 111.828 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -108.72 142.77 38.75 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.255 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.06 -52.03 65.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.644 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 4.1 p-10 -55.05 -46.3 75.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.056 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.64 -43.25 99.2 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.636 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.509 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.6 mtp -62.63 -41.63 99.13 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.4 -43.21 87.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.74 -46.54 52.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.731 0.301 . . . . 0.0 111.522 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.65 -52.15 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.457 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.401 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 59.09 24.5 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -177.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 70.2 t -162.13 88.68 1.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 113.767 -1.56 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.46 -167.36 0.33 Allowed 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.821 1.681 . . . . 0.0 111.327 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -128.05 132.84 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.091 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.4 t -49.46 -32.03 11.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.907 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -77.91 -32.66 51.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.78 0.324 . . . . 0.0 110.533 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.5 m -68.01 -52.69 32.74 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.312 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.62 -43.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 19.0 t80 -57.86 -50.7 72.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.281 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.9 m -58.23 -44.39 88.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.893 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.61 -49.64 74.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.289 0.566 . . . . 0.0 109.935 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' TYR . 8.7 mm -60.32 -41.01 85.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.892 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.56 -62.29 1.68 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.305 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -57.88 -46.97 84.09 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.22 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.37 -45.36 93.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.69 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 101' ' ' ILE . 51.7 t80 -54.34 -49.24 70.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.495 0.664 . . . . 0.0 109.832 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -58.49 -43.89 89.2 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.878 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.6 m -57.31 -39.36 75.62 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.826 0.346 . . . . 0.0 110.293 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.65 -41.41 98.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.29 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.79 -46.1 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.93 -49.09 76.15 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.346 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.19 -18.02 56.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.174 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.77 20.83 75.76 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 40.3 mt -74.38 -44.38 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.979 0.419 . . . . 0.0 110.945 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.49 -38.72 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.158 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -80.85 55.25 2.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.871 0.367 . . . . 0.0 110.451 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 t -92.06 1.25 57.32 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -71.7 55.42 0.26 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.969 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -139.42 154.21 47.75 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.228 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.478 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -70.0 -26.01 26.89 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.167 1.911 . . . . 0.0 110.103 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.11 -8.87 41.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.618 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.57 55.64 0.49 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -64.4 -56.83 11.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.917 0.389 . . . . 0.0 110.798 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -80.25 -9.66 59.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.762 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.465 ' N ' HD21 ' A' ' 7' ' ' ASN . 1.2 m120 -60.21 -40.55 90.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 tpt -61.92 -47.24 85.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.06 -40.94 87.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.34 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.19 -48.22 82.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.551 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.93 -52.26 66.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.555 1.169 . . . . 0.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.402 ' O ' ' CE ' ' A' ' 16' ' ' MET . 78.9 t90 -55.49 -59.98 4.06 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 112.472 -2.149 . . . . 0.0 111.533 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -54.61 -45.9 73.76 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.985 0.422 . . . . 0.0 110.706 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -58.92 -46.98 86.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.478 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -27.49 62.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.511 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.483 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.7 mpp? -104.25 0.4 29.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.733 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.5 m -103.43 -7.94 20.56 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.324 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 13.1 ptm180 -68.19 -42.53 79.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.622 0.725 . . . . 0.0 109.251 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.48 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 90.6 m-20 -52.68 -30.88 34.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.448 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.613 ' HH ' ' N ' ' A' ' 44' ' ' LYS . 81.8 m-85 -89.62 153.12 20.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.694 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 54.6 mp0 -116.94 169.81 9.11 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.476 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.649 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 32.2 t-80 64.67 3.91 2.15 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 21' ' ' GLU . 85.9 t -123.1 126.82 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.248 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' O ' ' OG ' ' A' ' 31' ' ' SER . 38.3 t70 -139.96 105.75 5.16 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.659 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.2 mt -85.65 89.89 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -104.94 1.24 28.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.862 178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 28' ' ' PHE . 13.4 t-20 -170.08 179.29 3.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.246 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.424 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 54.5 m-85 -104.43 -10.43 17.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.949 0.404 . . . . 0.0 110.452 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 30' ' ' SER . 95.6 p -102.41 -69.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' ' OG ' ' A' ' 29' ' ' SER . 36.8 t -59.3 -40.9 87.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.645 -177.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 19.3 m -75.91 4.41 8.25 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.439 -178.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -116.66 -11.24 11.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.748 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.437 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 67.3 m -55.5 -36.82 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.2 -178.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' A' ' 34' ' ' SER . 1.5 m -69.54 -25.95 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 82.5 -8.56 61.42 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 108.756 -1.737 . . . . 0.0 108.756 -177.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.9 mmm -60.72 -29.86 69.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.609 -0.796 . . . . 0.0 110.269 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.71 -50.43 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.917 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.58 -43.74 84.81 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.26 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 19.4 p -72.89 -45.52 57.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 111.224 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.59 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.43 -42.72 99.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.634 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.61 -45.25 93.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 44' ' ' LYS . 4.3 mm -65.61 -42.92 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.746 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.419 ' C ' ' OH ' ' A' ' 20' ' ' TYR . 42.4 t-80 -57.51 -8.55 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.613 ' N ' ' HH ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -78.6 -37.41 42.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.536 -179.113 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -98.95 -17.7 18.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.255 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -126.58 98.63 31.36 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.35 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.506 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -74.77 -37.57 2.13 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.844 1.696 . . . . 0.0 111.835 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.13 -0.07 5.41 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -60.12 -77.49 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.537 -1.211 . . . . 0.0 111.956 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.413 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.1 p90 -166.65 159.96 14.57 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.545 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -81.81 92.6 6.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -56.08 -22.04 25.56 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.0 -22.79 36.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -81.05 -22.67 39.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -81.07 153.84 27.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.046 0.45 . . . . 0.0 111.22 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.12 169.11 9.51 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.291 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.32 -14.87 20.33 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.171 1.914 . . . . 0.0 110.176 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.14 -43.5 78.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.272 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -84.55 69.48 10.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.365 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 33' ' ' SER . 81.3 mtp180 -75.83 -51.21 13.07 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -50.67 -46.76 58.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.783 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -67.03 -36.57 82.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.731 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 18.2 t-20 -61.89 -43.83 98.04 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.048 0.451 . . . . 0.0 110.662 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.487 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 45.6 m-85 -68.92 -54.08 17.48 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.788 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.5 m -52.72 -43.15 65.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.81 -47.77 84.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.987 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -37.87 84.47 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.04 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -78.81 -53.05 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -60.94 -27.89 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.9 m -77.8 -45.33 24.79 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.265 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.71 78.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.972 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 96.6 mt-10 -73.8 -50.64 19.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.159 0.504 . . . . 0.0 111.002 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -58.74 -43.15 90.17 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.001 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.73 -45.98 23.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.69 7.19 9.42 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 61.8 t0 45.77 38.78 4.57 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.865 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.25 -163.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.509 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.63 170.64 12.35 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.353 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -138.75 41.03 2.17 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.068 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 mt -65.63 -19.23 65.83 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.224 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mt -113.36 146.74 38.97 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.204 0.526 . . . . 0.0 112.174 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -114.53 141.77 47.28 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.161 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.1 t -56.3 -52.43 51.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.274 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -55.22 -46.28 75.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.037 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.13 -44.6 95.14 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.47 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 6.1 mtp -61.99 -44.83 95.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.336 0.589 . . . . 0.0 109.656 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.65 -42.29 80.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.969 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -70.03 -48.04 59.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.711 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.2 -50.78 64.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.184 0.516 . . . . 0.0 110.375 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 57.73 28.24 15.57 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' A' ' 92' ' ' PRO . 79.7 t -162.71 60.66 1.04 Allowed Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.751 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.495 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.3 Cg_endo -46.42 -176.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.979 1.786 . . . . 0.0 111.144 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -118.25 130.18 55.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.425 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 t -49.53 -32.96 13.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.782 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.423 ' O ' ' OG1' ' A' ' 99' ' ' THR . 5.8 tmtt? -75.09 -36.12 61.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.5 m -65.38 -51.31 61.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.514 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.35 -43.6 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 29.2 t80 -58.85 -50.59 73.41 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.037 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.8 m -57.93 -44.78 87.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.015 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.9 -49.83 75.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.433 0.635 . . . . 0.0 110.105 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.3 mm -60.2 -40.83 84.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.933 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -52.4 -59.49 4.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.759 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.1 -45.75 90.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.5 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.38 -47.63 83.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.782 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -51.95 -47.15 64.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.782 0.801 . . . . 0.0 109.547 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.47 -39.45 90.94 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.094 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 52.2 m -59.27 -39.79 84.0 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.012 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 40.3 mt -67.26 -37.51 83.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.96 -47.9 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -65.41 -49.16 70.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -55.59 -29.84 59.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.149 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.99 18.52 55.85 Favored Glycine 0 N--CA 1.463 0.496 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.44 -44.85 64.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.521 -0.839 . . . . 0.0 111.107 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.4 t -72.8 -32.91 42.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.401 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -73.96 49.35 0.33 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.818 0.342 . . . . 0.0 110.553 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 25.0 m -74.09 -35.43 64.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.508 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -63.71 -74.01 0.11 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.509 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.453 ' O ' ' OXT' ' A' ' 119' ' ' LYS . 20.2 tptp -50.34 137.76 17.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.453 ' OXT' ' O ' ' A' ' 118' ' ' LYS . 84.1 tttt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.262 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -72.23 108.97 2.61 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.322 2.014 . . . . 0.0 110.346 179.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.1 mt -96.76 -11.84 24.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.369 -179.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.61 172.84 49.24 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 7' ' ' ASN . 80.3 p -47.07 -28.59 1.78 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.015 0.436 . . . . 0.0 110.546 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -58.41 -0.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.802 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.555 ' H ' ' C ' ' A' ' 5' ' ' SER . 1.7 t-20 -70.19 -36.53 74.69 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.132 178.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.8 tpt -57.49 -49.96 74.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.251 -179.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.92 -45.19 90.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.33 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.98 -45.53 94.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.251 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -59.06 -51.06 71.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.587 1.184 . . . . 0.0 109.939 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -58.76 -62.86 1.56 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.519 -2.128 . . . . 0.0 111.291 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.488 ' O ' ' OG1' ' A' ' 17' ' ' THR . 3.4 m -52.31 -48.62 65.3 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.736 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -59.32 -51.15 71.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.552 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.88 -22.09 3.5 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.289 -179.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -108.31 -4.4 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.705 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 10.9 m -99.36 -8.23 25.12 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.234 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -64.54 -48.62 74.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.607 0.718 . . . . 0.0 109.588 179.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -51.78 -27.92 13.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.46 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.459 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 34.8 m-85 -89.66 147.32 23.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.472 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' A' ' 23' ' ' VAL . 96.8 mt-10 -114.4 173.65 6.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.883 -179.4 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.643 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 39.3 t-80 61.82 4.94 1.2 Allowed 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -179.517 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' H ' ' C ' ' A' ' 21' ' ' GLU . 97.5 t -127.96 131.74 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.008 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 37.1 p-10 -145.07 109.63 4.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.687 179.221 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.3 mt -81.03 92.82 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 121.347 0.594 . . . . 0.0 112.419 -178.045 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -97.04 -21.13 17.57 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.978 178.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.539 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 13.4 t-20 -158.1 -174.1 4.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.207 179.237 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.539 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 65.8 m-85 -103.47 -11.66 17.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.102 0.477 . . . . 0.0 110.436 -179.698 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.0 t -103.05 -76.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.678 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 m -59.5 -42.48 92.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.203 -178.038 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -67.6 -1.85 5.77 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.194 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.427 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 27.6 m95 -111.82 -4.19 14.69 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.369 -179.464 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.5 t -57.56 -17.4 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.592 -178.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.562 ' C ' ' H ' ' A' ' 36' ' ' MET . 74.2 m -81.6 -19.74 41.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.265 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.504 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 74.33 -12.07 6.03 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -178.4 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.607 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 26.7 mtt -66.19 -31.8 72.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.711 -0.744 . . . . 0.0 110.591 179.123 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.41 58.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.368 -179.183 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -57.06 -45.17 83.43 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.176 -178.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 1.3 m -66.77 -45.0 79.89 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.544 -0.463 . . . . 0.0 111.408 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.22 99.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.469 -178.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.15 -43.67 91.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 -179.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.7 mm -64.97 -42.36 94.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.646 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.459 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 19.8 t-80 -53.65 -47.47 70.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.389 . . . . 0.0 111.334 -178.161 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -43.54 -33.92 1.25 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.431 0.634 . . . . 0.0 110.903 -178.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -92.35 -25.59 18.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -126.08 101.33 28.98 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.392 -177.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -78.09 -39.01 0.51 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.7 1.6 . . . . 0.0 111.626 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -68.08 -34.8 77.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.37 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -34.16 -65.75 0.19 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.754 -179.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -170.03 162.1 8.93 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.455 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.79 108.94 20.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 30.8 t80 -66.16 -16.29 63.84 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.33 -20.78 39.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -16.03 51.48 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.747 -179.386 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.25 176.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.073 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -156.16 142.01 12.83 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.056 -179.445 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.82 -12.79 2.12 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 122.017 1.811 . . . . 0.0 109.906 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -86.82 -10.22 54.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.057 -179.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -110.57 45.47 1.13 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.2 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -67.13 -52.24 44.21 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -52.26 -46.84 65.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.458 0.647 . . . . 0.0 109.689 -178.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -66.81 -33.43 75.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.435 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.545 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 25.4 t-20 -61.55 -41.99 98.19 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.506 -179.823 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.501 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 63.2 m-85 -69.0 -53.99 17.57 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.699 179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' SER . 13.5 m -56.46 -43.42 79.53 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.59 -47.47 85.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.173 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.9 90.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.063 -179.277 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 42.4 m-85 -79.62 -48.37 13.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.181 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' THR . 34.5 t -64.48 -27.74 69.19 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -78.36 -47.4 17.75 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.249 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.86 -34.06 77.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 82.4 tt0 -71.47 -49.24 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -63.32 -40.28 96.89 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.803 -178.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.2 mt -84.52 -30.98 24.7 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.83 2.2 3.68 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -177.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 98.7 m-20 46.02 34.49 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.92 179.48 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.0 t -52.32 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.487 -178.684 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.78 168.67 12.74 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.337 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -132.7 42.02 3.12 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.16 -17.41 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.369 -178.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.95 137.83 51.75 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.122 0.487 . . . . 0.0 111.888 -178.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -108.58 135.2 50.22 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.388 178.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.8 t -51.99 -52.22 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.624 -178.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.55 -45.71 77.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.292 -178.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.72 -43.27 99.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.973 0.416 . . . . 0.0 110.293 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.501 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 6.1 mtp -62.24 -42.85 99.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.376 0.608 . . . . 0.0 110.25 179.081 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.0 t -65.02 -42.77 95.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.97 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.36 -47.48 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.847 0.355 . . . . 0.0 111.837 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.66 -51.18 63.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.469 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.403 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 58.9 26.23 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.39 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 69.5 t -162.39 90.13 1.35 Allowed Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.602 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -73.24 -170.94 0.71 Allowed 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 121.934 1.756 . . . . 0.0 111.352 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -123.15 131.48 53.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.308 179.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 t -51.94 -34.14 40.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.782 -178.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -71.14 -41.77 70.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.583 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.6 m -63.18 -51.01 68.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.483 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.44 -45.04 93.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.511 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 24.0 t80 -57.49 -50.47 72.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.085 179.753 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.3 m -57.8 -43.81 85.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.105 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -61.14 -50.6 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.316 0.579 . . . . 0.0 110.349 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.3 mm -60.78 -40.91 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.148 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -50.03 -63.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -57.49 -44.27 84.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.798 -178.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.49 -47.53 83.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -52.58 -46.73 67.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.546 0.689 . . . . 0.0 109.451 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.04 -42.99 99.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.012 -178.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.55 ' OG ' ' NZ ' ' A' ' 111' ' ' LYS . 34.5 t -60.79 -41.17 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.868 179.052 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.09 -39.23 91.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.23 -46.22 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.449 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.01 -53.01 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.273 179.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.55 ' NZ ' ' OG ' ' A' ' 107' ' ' SER . 63.2 mttp -51.72 -28.18 14.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.333 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.51 18.18 59.1 Favored Glycine 0 N--CA 1.463 0.442 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 27.9 mt -75.14 -54.33 7.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.365 -0.917 . . . . 0.0 110.952 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.08 -43.13 85.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.539 -179.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -82.8 79.07 9.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.32 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.3 p -93.53 -8.74 40.51 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.01 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.632 ' O ' ' N ' ' A' ' 119' ' ' LYS . 61.3 mttp -142.02 144.25 33.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -58.73 66.02 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 O-C-N 123.386 0.429 . . . . 0.0 110.063 179.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.632 ' N ' ' O ' ' A' ' 117' ' ' LYS . 88.4 mttt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.433 -179.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -55.72 -32.25 83.27 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.115 1.877 . . . . 0.0 109.795 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' SER . 54.3 mt -86.33 -53.82 4.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.724 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.2 93.33 0.01 OUTLIER Glycine 0 N--CA 1.464 0.538 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.513 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 60.0 p -76.74 -67.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 110.552 -179.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' N ' ' OG ' ' A' ' 5' ' ' SER . 64.5 pttt -51.83 -25.8 8.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.642 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -62.32 -40.6 96.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.196 0.522 . . . . 0.0 109.787 179.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' A' ' 8' ' ' MET . 1.2 tmt? -61.64 -47.97 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.357 179.56 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.27 -43.69 90.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.514 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 tp -62.2 -47.28 85.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.619 -179.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.08 -53.91 52.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.606 1.193 . . . . 0.0 109.738 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.59 -60.61 3.18 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 112.559 -2.109 . . . . 0.0 111.274 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.9 t -52.59 -45.72 66.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.319 0.58 . . . . 0.0 110.998 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -61.14 -52.86 63.08 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.407 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.27 -17.91 0.3 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.36 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.8 mtt -113.06 -3.33 14.01 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.91 -11.16 27.11 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.179 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -67.46 -41.73 84.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.742 0.782 . . . . 0.0 109.701 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -53.08 -31.01 39.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.716 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.401 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 65.0 m-85 -107.75 106.1 16.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.033 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.633 ' C ' ' H ' ' A' ' 23' ' ' VAL . 57.0 mp0 -68.19 -172.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 -179.68 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.588 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 44.9 t-80 59.72 -0.1 0.22 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.745 0.783 . . . . 0.0 108.978 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.633 ' H ' ' C ' ' A' ' 21' ' ' GLU . 93.8 t -125.5 128.3 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.855 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -143.98 108.53 4.86 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.51 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.2 mt -79.17 97.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -111.85 -24.84 9.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.843 178.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' CG ' ' HG ' ' A' ' 29' ' ' SER . 18.7 t-20 -157.78 137.75 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.328 178.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.442 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 42.0 m-85 -61.42 -4.79 1.4 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.213 0.53 . . . . 0.0 110.651 -179.132 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.504 ' HG ' ' CG ' ' A' ' 27' ' ' ASN . 90.6 p -101.89 -74.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.488 ' N ' ' OG ' ' A' ' 29' ' ' SER . 62.0 p -58.08 -43.29 86.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.699 -177.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.1 m -72.22 1.71 7.17 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.228 -178.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.442 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 36.4 m95 -116.39 -8.59 11.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.762 -179.488 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.5 p -58.68 -18.97 35.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.232 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.55 ' HG ' ' H ' ' A' ' 36' ' ' MET . 88.8 p -86.42 -22.67 26.42 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.489 -179.342 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.68 -11.22 34.34 Favored Glycine 0 N--CA 1.459 0.171 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 -178.451 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.55 ' H ' ' HG ' ' A' ' 34' ' ' SER . 30.8 mmm -61.28 -30.03 70.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.496 -0.852 . . . . 0.0 110.304 179.49 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.39 -51.07 56.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.871 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.74 -41.96 78.44 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.342 -178.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 17.7 p -75.46 -43.39 49.77 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.283 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.559 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -60.19 -42.77 95.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.586 -178.658 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.64 -43.85 95.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.045 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.6 mm -66.29 -44.78 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.792 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 15.8 t-80 -56.2 -13.61 2.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.02 0.438 . . . . 0.0 111.386 -178.704 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -74.42 -39.56 62.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.464 -178.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -100.03 -15.01 18.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.85 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -125.84 98.1 34.47 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.331 -178.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -75.23 -38.18 1.61 Allowed 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.755 1.637 . . . . 0.0 111.755 179.761 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.6 -9.6 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.803 0.811 . . . . 0.0 108.812 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -55.43 -75.47 0.04 OUTLIER 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 114.271 -1.331 . . . . 0.0 112.399 -179.443 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 16.7 p90 -171.53 165.89 6.84 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.86 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 1.2 p30 -88.43 101.93 14.4 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.478 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -64.97 -20.25 66.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.26 -179.325 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.24 -10.32 59.79 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.792 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 2.7 tm-20 -100.32 -11.52 20.24 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.562 -179.346 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.76 152.88 28.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.962 0.411 . . . . 0.0 111.045 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.05 162.6 40.54 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.045 -179.21 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -75.62 -9.72 19.99 Favored 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 122.31 2.007 . . . . 0.0 109.971 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.57 -9.85 59.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.089 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -112.83 55.34 0.7 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.328 -178.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -69.42 -46.35 67.01 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -53.1 -53.04 56.23 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.761 -178.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -62.71 -36.24 82.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.829 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 28.2 t-20 -62.17 -44.18 97.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.606 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.515 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 43.7 m-85 -68.8 -56.59 7.53 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.93 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.7 m -52.17 -43.05 63.93 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.731 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.478 ' O ' ' OG1' ' A' ' 70' ' ' THR . 55.4 tp -60.91 -48.88 79.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.315 -179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.08 79.67 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.205 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -79.29 -49.47 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.7 m -63.47 -29.57 70.83 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 29.0 m -75.14 -51.91 12.27 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.356 178.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.19 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' ASP . 15.4 tm-20 -71.37 -52.46 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.066 0.46 . . . . 0.0 110.61 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.14 -39.17 91.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.928 -178.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -78.12 -47.42 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.89 8.54 8.74 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -177.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' GLU . 99.5 m-20 45.94 38.95 5.01 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.039 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.91 -162.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.616 -178.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.2 170.82 10.7 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.308 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -136.99 39.74 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.02 -18.15 64.62 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.356 -178.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.03 145.15 42.58 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.178 0.513 . . . . 0.0 112.1 -178.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -111.43 143.7 41.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.325 178.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.83 -51.81 65.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.29 -178.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -55.43 -46.63 76.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.195 -178.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -63.27 -44.38 95.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.803 0.335 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 3.5 mtp -61.91 -43.91 97.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.421 0.629 . . . . 0.0 109.897 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.1 t -70.06 -41.85 79.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.127 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -71.74 -48.45 46.88 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.96 -179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.88 -54.57 40.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 61.3 19.86 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 -177.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.498 ' O ' ' O ' ' A' ' 92' ' ' PRO . 95.9 t -155.37 57.7 1.69 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 113.689 -1.596 . . . . 0.0 109.998 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.8 Cg_endo -44.99 -179.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.895 1.73 . . . . 0.0 111.171 -179.519 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -113.96 129.18 56.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.974 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 m -48.78 -34.1 11.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.161 -178.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' O ' ' OG1' ' A' ' 99' ' ' THR . 19.1 ptmt -73.71 -34.68 64.91 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.8 m -66.48 -51.12 60.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.614 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.6 -43.98 97.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.041 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.431 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 19.9 t80 -59.38 -51.41 70.05 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 20.3 m -56.73 -45.21 82.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.183 -179.575 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -62.15 -49.95 73.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.698 . . . . 0.0 110.068 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.3 mm -59.63 -40.95 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.942 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -51.81 -60.29 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.445 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -59.44 -46.8 87.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.334 -179.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.8 tp -59.3 -45.48 91.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.675 -179.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 101' ' ' ILE . 83.8 t80 -53.69 -48.49 69.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.53 0.681 . . . . 0.0 109.827 -179.418 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -60.91 -38.17 84.82 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.078 -178.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.7 m -59.61 -40.31 87.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.03 178.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.81 -36.68 80.84 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.205 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.65 -48.79 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -178.23 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -65.91 -47.97 73.0 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.51 0.671 . . . . 0.0 109.587 179.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -55.05 -28.88 55.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.054 -179.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.74 18.38 58.38 Favored Glycine 0 N--CA 1.463 0.436 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.4 mt -74.5 -43.58 55.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.226 -0.987 . . . . 0.0 110.999 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.87 -38.25 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.217 -179.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -98.83 89.88 4.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 0.0 110.494 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.54 ' HG1' ' H ' ' A' ' 117' ' ' LYS . 24.3 p -87.39 -51.61 5.84 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.247 0.546 . . . . 0.0 111.422 -179.448 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.54 ' H ' ' HG1' ' A' ' 116' ' ' THR . 52.3 mtpt -144.52 145.33 31.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.161 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -83.19 147.69 27.89 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.202 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.6 mptt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.855 -1.069 . . . . 0.0 110.053 -179.333 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.414 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -69.5 -29.81 24.51 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.135 1.89 . . . . 0.0 110.374 179.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.9 mt -103.72 -63.99 1.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.57 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.56 35.44 67.8 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -75.59 -58.97 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 111.155 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -102.51 -9.41 20.22 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.016 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -73.89 -36.33 64.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.097 179.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -50.57 -55.45 16.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.988 -179.517 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.67 -45.2 87.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.0 -46.11 92.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.457 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.44 -53.59 56.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.551 1.167 . . . . 0.0 109.882 179.32 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.493 ' O ' ' CE ' ' A' ' 16' ' ' MET . 87.0 t90 -54.4 -62.07 1.89 Allowed 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 112.683 -2.053 . . . . 0.0 111.067 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 m -51.71 -45.2 63.48 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.973 0.416 . . . . 0.0 110.643 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.2 ttp180 -63.02 -52.35 63.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.714 0.769 . . . . 0.0 110.233 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -44.32 -15.94 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.159 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.616 ' N ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -104.03 -20.86 13.71 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.683 -179.271 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.548 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.4 p -68.55 -11.21 59.62 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.205 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 35.6 ptt-85 -63.6 -37.87 88.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.783 0.802 . . . . 0.0 109.462 179.253 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.44 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 18.4 t-20 -66.69 -36.36 82.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.022 -179.838 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.526 ' O ' ' O ' ' A' ' 17' ' ' THR . 70.2 m-85 -98.65 151.92 20.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.683 -179.155 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 23' ' ' VAL . 10.7 pt-20 -117.32 176.17 5.28 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.881 -179.42 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.601 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.7 OUTLIER 59.79 9.62 1.74 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.867 0.842 . . . . 0.0 108.745 -179.501 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' H ' ' C ' ' A' ' 21' ' ' GLU . 54.1 t -122.29 131.62 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.945 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 42.1 p-10 -145.7 106.02 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.621 179.638 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.2 mt -85.11 89.97 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 112.722 -178.243 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -100.7 -13.04 18.67 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.959 178.238 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -157.51 176.44 12.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.384 179.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -99.48 -6.58 27.34 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.97 0.414 . . . . 0.0 110.376 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 m -104.24 -72.21 0.71 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -177.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 m -57.26 -43.9 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -177.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -72.93 2.33 7.08 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.175 -179.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -115.74 -10.83 11.71 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.772 -179.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 4.8 m -62.38 -9.62 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.188 -178.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.5 t -91.16 -23.2 20.32 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -179.444 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.57 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 77.54 -15.28 7.69 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -177.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.533 ' H ' ' C ' ' A' ' 34' ' ' SER . 11.8 mmm -61.27 -28.23 69.03 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.656 -0.772 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.56 -49.12 43.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.682 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -45.18 90.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.005 -179.174 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 15.4 p -68.79 -46.52 68.48 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.274 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.613 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -64.77 -41.23 96.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.351 -178.651 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.36 -42.62 99.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.929 0.395 . . . . 0.0 110.964 -178.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.59 -39.55 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.268 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -56.84 -40.64 76.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.4 -178.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.467 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 4.3 tmtt? -53.03 -36.4 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.689 -178.131 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -89.71 -36.93 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 49' ' ' ALA . 99.2 m-85 -115.34 73.34 3.74 Favored Pre-proline 0 C--O 1.217 -0.646 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.137 -178.15 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.69 -37.44 15.85 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 121.748 1.632 . . . . 0.0 112.043 -178.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -63.99 -20.89 66.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.366 0.603 . . . . 0.0 109.4 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 46' ' ' PHE . . . -33.39 -77.57 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.329 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -168.14 162.28 12.9 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.444 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -77.79 93.37 4.32 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -61.01 -20.74 62.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.978 -179.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.64 -20.02 44.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.662 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -84.38 -14.59 49.03 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.791 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.8 mt -82.19 148.45 28.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 111.03 -179.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' A' ' 58' ' ' ALA . 3.5 m-20 -125.67 147.21 57.6 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.211 -179.625 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -51.34 -10.67 0.47 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.045 1.83 . . . . 0.0 109.887 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.534 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -72.46 -44.27 62.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.662 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -88.04 59.51 5.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.58 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.534 ' NH2' ' O ' ' A' ' 33' ' ' SER . 27.8 mtp85 -70.96 -52.59 18.94 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.51 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -52.44 -49.17 65.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.413 0.625 . . . . 0.0 110.231 -178.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -60.54 -33.68 73.02 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.82 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 46.8 t30 -62.51 -41.03 98.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.339 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 52.4 m-85 -66.22 -58.71 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.63 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -51.59 -42.61 62.05 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.712 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.7 -48.18 82.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.184 -179.509 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -38.22 86.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.051 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -78.47 -48.8 14.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.074 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.8 t -63.72 -27.22 69.05 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.95 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.4 m -78.59 -45.43 21.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.354 178.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -63.75 -35.48 80.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.752 -179.681 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ASP . 44.3 tp10 -72.41 -49.8 31.01 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.933 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.39 -41.9 94.79 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.976 -178.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.9 mt -87.75 -40.71 13.86 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -179.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -115.98 -0.68 12.71 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.499 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 77' ' ' CYS . 98.4 m-20 49.12 34.08 5.51 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.831 179.559 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.3 t -49.07 -163.77 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.666 -178.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.73 174.38 7.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.331 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -127.97 40.67 3.64 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.8 -26.59 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.754 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mt -114.37 142.26 46.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.228 0.537 . . . . 0.0 112.24 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -110.96 142.66 42.77 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.171 178.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.16 -52.34 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.386 -178.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 88' ' ' ARG . 91.9 m-20 -55.93 -46.08 78.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.182 -178.274 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.77 -44.44 96.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.856 0.36 . . . . 0.0 110.174 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.4 mtp -62.68 -44.49 96.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.379 0.609 . . . . 0.0 109.436 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.38 -40.53 77.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.83 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' ASP . 53.0 ttp180 -72.1 -48.67 42.21 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.905 0.383 . . . . 0.0 111.985 -179.628 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.82 -49.81 64.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.365 -179.079 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 57.61 25.22 11.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 92' ' ' PRO . 97.0 t -158.35 59.86 1.66 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.676 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.483 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.3 Cg_endo -46.28 -176.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 121.967 1.778 . . . . 0.0 111.226 -179.617 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -117.04 130.02 56.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.311 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -49.44 -33.19 13.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.209 -178.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -75.61 -33.25 60.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.63 179.157 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.3 m -67.46 -53.57 27.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.89 -44.48 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.293 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.474 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 16.6 t80 -59.03 -50.48 73.92 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.154 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.2 m -58.44 -44.28 89.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.721 -179.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.49 -49.67 75.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.334 0.588 . . . . 0.0 110.052 179.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 105' ' ' TYR . 8.9 mm -61.11 -41.04 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.161 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -49.46 -63.12 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.825 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -57.87 -44.14 86.44 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.904 -178.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.439 ' O ' ' OG ' ' A' ' 107' ' ' SER . 52.1 tp -60.89 -44.72 96.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 101' ' ' ILE . 62.5 t80 -53.63 -47.74 70.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.697 0.76 . . . . 0.0 109.618 -179.173 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -60.48 -42.75 96.89 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.847 -178.23 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 104' ' ' LEU . 92.5 p -58.9 -38.67 79.43 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.805 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.4 -41.01 96.88 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.921 179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.81 -46.46 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.245 -178.421 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -51.52 64.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.299 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -53.9 -24.44 16.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.446 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.6 19.82 65.25 Favored Glycine 0 N--CA 1.461 0.314 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.0 mt -75.03 -55.02 6.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.61 -0.795 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.71 -41.28 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.784 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -80.93 75.91 7.89 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.417 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -88.98 -12.68 40.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.273 -179.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -67.38 -72.84 0.15 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.512 -179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -53.19 139.7 28.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.13 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 65.5 mttp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.458 -179.419 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -54.5 -26.15 43.82 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.097 1.865 . . . . 0.0 109.75 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.35 -17.7 64.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.4 59.24 0.59 Allowed Glycine 0 N--CA 1.465 0.604 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.56 ' HG ' ' N ' ' A' ' 6' ' ' LYS . 33.6 p -66.98 -61.45 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.556 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.56 ' N ' ' HG ' ' A' ' 5' ' ' SER . 67.6 mttm -45.67 -35.86 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.688 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -64.53 -38.7 91.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.867 179.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 8' ' ' MET . 1.0 OUTLIER -60.25 -48.53 81.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.342 -179.698 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -64.29 -43.07 95.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.408 179.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.1 tp -60.47 -48.28 82.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.493 -179.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.69 -55.0 40.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.568 1.175 . . . . 0.0 110.101 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -53.91 -62.24 1.78 Allowed 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.421 -2.172 . . . . 0.0 111.366 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -50.86 -36.09 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.413 0.625 . . . . 0.0 111.029 179.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.473 ' C ' ' H ' ' A' ' 16' ' ' MET . 35.2 ttm180 -70.83 -48.16 55.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.736 0.779 . . . . 0.0 110.563 179.296 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.533 ' O ' ' NH1' ' A' ' 18' ' ' ARG . . . -47.52 -13.43 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.477 -179.062 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.473 ' H ' ' C ' ' A' ' 14' ' ' ARG . 13.7 ptp -121.79 -0.43 9.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.045 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.8 m -85.4 -13.46 49.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.217 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.533 ' NH1' ' O ' ' A' ' 15' ' ' ALA . 79.2 mtm-85 -64.81 -34.34 78.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.411 0.624 . . . . 0.0 109.922 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.74 -37.72 87.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.38 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.538 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 54.1 m-85 -104.52 94.46 5.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.597 -179.306 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.603 ' C ' ' H ' ' A' ' 23' ' ' VAL . 97.0 mt-10 -68.0 -172.48 0.3 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.494 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.3 t60 61.4 0.17 0.42 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.621 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.603 ' H ' ' C ' ' A' ' 21' ' ' GLU . 72.0 t -124.05 129.22 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.345 -179.7 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -137.04 107.33 6.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.887 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.0 mt -85.09 87.46 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.412 0.625 . . . . 0.0 112.182 -178.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -94.0 -23.69 17.93 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.084 178.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.4 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 61.4 t30 -147.33 -175.7 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.819 -1.082 . . . . 0.0 108.214 178.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 68.3 m-85 -105.1 -7.31 19.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.072 0.463 . . . . 0.0 110.318 -179.505 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' A' ' 30' ' ' SER . 94.6 p -106.22 -68.6 0.87 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -177.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.467 ' N ' ' OG ' ' A' ' 29' ' ' SER . 77.9 p -59.56 -45.21 92.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.541 -177.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.413 ' N ' ' HG ' ' A' ' 30' ' ' SER . 55.8 m -74.16 6.19 3.73 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.315 -178.653 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.408 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.8 m95 -116.33 -8.46 11.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.714 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.5 m -55.52 -39.07 70.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.228 -179.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -64.12 -26.61 68.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.49 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 81.15 -10.94 45.83 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 108.774 -1.73 . . . . 0.0 108.774 -178.064 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.453 ' H ' ' C ' ' A' ' 34' ' ' SER . 48.4 mmm -62.23 -27.23 68.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.605 -0.797 . . . . 0.0 110.282 179.273 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.08 -50.27 56.09 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 -179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.22 -44.99 88.45 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.061 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 4.6 m -66.55 -47.23 73.51 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.044 -179.678 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -61.5 -42.08 98.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.409 -178.401 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD1' ' SD ' ' A' ' 16' ' ' MET . 53.6 tp -61.95 -43.0 99.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -178.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.2 mm -66.93 -42.76 89.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.542 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.538 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 32.8 t-80 -56.19 -12.67 1.64 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.275 -178.494 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -79.33 -38.03 36.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.633 -179.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.4 m-85 -82.57 -41.95 18.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.972 -178.251 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 49' ' ' ALA . 20.0 m-85 -122.77 74.91 46.59 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.436 -178.135 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.492 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.0 Cg_endo -46.2 -34.78 14.14 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.906 1.737 . . . . 0.0 111.423 -179.094 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.83 -4.78 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 46' ' ' PHE . . . -52.96 -70.57 0.09 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.612 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 5.3 p90 -169.92 164.95 9.7 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.614 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -82.85 94.76 7.75 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -61.87 -21.96 65.13 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 120.967 0.413 . . . . 0.0 111.169 -179.001 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.53 -14.39 58.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.66 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -92.21 -14.3 29.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.4 mt -84.33 151.58 24.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 110.95 -179.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.73 162.37 35.05 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.398 -179.35 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -74.82 -12.39 21.91 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 122.197 1.932 . . . . 0.0 110.019 179.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.78 -44.87 72.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.305 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -87.7 68.85 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.432 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -73.51 -46.07 50.09 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -51.81 -47.46 64.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.144 0.497 . . . . 0.0 110.542 -178.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -66.4 -36.71 83.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.756 179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 18.6 t-20 -61.63 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.144 0.497 . . . . 0.0 110.627 -179.378 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 48.2 m-85 -68.32 -55.18 12.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.707 179.274 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.7 m -52.64 -42.64 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.387 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.442 ' O ' ' OG1' ' A' ' 70' ' ' THR . 52.0 tp -60.11 -49.89 75.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.007 -179.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.61 -38.17 77.44 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.876 -178.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -80.5 -49.94 10.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.041 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.9 p -62.16 -31.1 71.56 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.782 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 25.9 m -76.0 -48.73 19.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.355 178.43 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.47 -32.74 74.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.994 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 76' ' ' ASP . 84.7 tt0 -70.47 -51.62 27.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.058 0.456 . . . . 0.0 110.62 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.44 -38.98 82.11 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.829 -178.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -77.41 -49.06 15.65 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.19 8.7 9.18 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' A' ' 72' ' ' GLU . 98.8 m-20 47.4 40.14 10.38 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.034 179.305 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.542 ' SG ' ' CD1' ' A' ' 104' ' ' LEU . 62.3 m -48.0 -169.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.472 -178.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.72 170.9 13.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.33 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -126.64 35.39 4.64 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.1 -26.67 66.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.341 -178.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.94 145.94 37.47 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.284 0.564 . . . . 0.0 112.079 -178.572 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -116.41 135.68 53.64 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.3 179.09 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.14 -53.71 17.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.529 -178.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' ARG . 98.8 m-20 -54.64 -45.08 73.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.004 -178.505 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.84 -45.4 94.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.905 0.383 . . . . 0.0 110.087 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.409 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 13.9 mtp -61.85 -45.69 92.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.325 0.583 . . . . 0.0 109.941 179.123 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.51 -42.21 86.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.841 179.225 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' ASP . 51.7 ttp180 -71.24 -48.6 50.22 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.611 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 91.4 mt -67.55 -49.27 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.275 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.431 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 56.69 29.91 16.62 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -177.353 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.504 ' O ' ' O ' ' A' ' 92' ' ' PRO . 78.2 t -162.89 61.41 1.1 Allowed Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 113.582 -1.645 . . . . 0.0 109.931 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.4 Cg_endo -45.8 -177.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 121.871 1.714 . . . . 0.0 111.229 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 96' ' ' CYS . 27.7 t0 -120.61 131.59 54.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.446 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.7 m -45.97 -32.71 2.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.041 -178.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' O ' ' CG2' ' A' ' 99' ' ' THR . 11.6 ptmm? -79.49 -27.81 41.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.338 179.463 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 93' ' ' ASP . 9.7 m -72.34 -41.64 66.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.451 0.643 . . . . 0.0 110.537 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.73 -43.09 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.107 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 22.0 t80 -62.07 -52.73 62.73 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.577 -178.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 95' ' ' LYS . 14.9 t -59.19 -42.2 90.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.3 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.41 ' N ' ' CG2' ' A' ' 99' ' ' THR . 62.5 t80 -62.53 -50.9 69.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.488 0.661 . . . . 0.0 110.079 179.091 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.0 mm -60.04 -37.5 72.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.057 179.754 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -53.38 -59.22 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.691 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -59.44 -46.85 87.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.498 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.542 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 14.1 tp -61.39 -44.51 97.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.705 -179.86 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' ILE . 91.7 t80 -53.82 -48.35 69.98 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.49 0.662 . . . . 0.0 109.678 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -61.02 -38.76 87.24 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.937 -178.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 t -59.18 -40.51 85.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.636 178.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.6 mt -67.75 -38.11 83.04 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.075 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.69 -49.09 85.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.929 -177.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -64.15 -43.73 94.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.327 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -61.88 -25.78 67.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.37 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.74 20.07 58.71 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.1 mt -75.98 -38.52 57.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.367 -0.916 . . . . 0.0 110.941 179.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.65 -32.39 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.541 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -82.87 49.11 1.44 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.033 0.444 . . . . 0.0 110.724 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.422 ' H ' ' HG1' ' A' ' 116' ' ' THR . 3.2 p -93.35 -0.75 56.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.232 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -78.28 -72.85 0.35 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.501 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -51.86 157.62 1.19 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.721 -179.743 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -71.96 138.17 30.72 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.47 2.113 . . . . 0.0 110.335 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.4 mt -68.9 -45.65 70.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.764 -179.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.15 12.29 84.22 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -67.48 -62.25 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.016 0.436 . . . . 0.0 110.611 -179.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -47.95 -34.23 8.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.611 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -63.08 -40.64 98.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.837 179.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.451 ' C ' ' SD ' ' A' ' 8' ' ' MET . 1.6 tmt? -59.51 -46.04 89.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.69 -45.16 94.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.443 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.27 -47.31 86.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.509 -179.182 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -59.15 -53.43 58.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.44 1.114 . . . . 0.0 110.216 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -52.95 -59.74 4.15 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 112.541 -2.118 . . . . 0.0 111.111 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' THR . 5.1 t -54.2 -43.77 71.04 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.943 179.164 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -60.0 -35.03 74.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.243 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.87 -29.03 69.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.774 -178.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 ptp -116.08 -2.55 12.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' CYS . 61.1 m -99.31 -13.13 19.78 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.971 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' TYR . 72.0 ttt180 -68.0 -45.75 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 109.674 179.155 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -40.71 -25.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.871 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ARG . 64.1 m-85 -104.36 101.32 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.758 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.62 ' C ' ' H ' ' A' ' 23' ' ' VAL . 18.3 pt-20 -66.43 -175.94 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.71 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.639 ' NE2' ' SD ' ' A' ' 36' ' ' MET . 0.9 OUTLIER 61.49 -0.76 0.36 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.729 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' H ' ' C ' ' A' ' 21' ' ' GLU . 70.0 t -125.66 128.82 72.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.47 -179.797 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 99.6 m-20 -141.83 110.47 6.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.879 179.723 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.5 mt -76.96 104.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.521 0.676 . . . . 0.0 112.723 -178.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.412 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 7.7 tt0 -104.5 -31.11 9.62 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.874 178.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 26' ' ' GLN . 93.3 m-20 -151.15 -172.22 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.234 178.683 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -101.81 -4.96 25.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.167 0.508 . . . . 0.0 110.393 -179.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -109.63 -65.08 1.18 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -60.78 -45.68 93.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.462 -178.319 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -74.86 4.98 5.55 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.859 -178.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -115.73 -7.8 12.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.748 -179.435 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.5 p -54.87 -33.63 62.08 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.345 -178.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.566 ' C ' ' H ' ' A' ' 36' ' ' MET . 78.3 p -66.79 -26.26 66.87 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.403 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.573 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 75.67 -12.68 7.78 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 -178.047 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.639 ' SD ' ' NE2' ' A' ' 22' ' ' HIS . 86.7 mtp -68.82 -20.43 64.31 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.59 -0.805 . . . . 0.0 110.181 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.55 -49.82 56.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.261 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -40.54 71.73 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.789 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.591 ' SG ' ' ND2' ' A' ' 63' ' ' ASN . 17.0 m -70.22 -44.39 68.71 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.084 -179.103 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.82 99.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.501 -178.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.22 -41.22 98.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.548 ' C ' ' H ' ' A' ' 44' ' ' LYS . 3.2 mm -69.13 -43.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.584 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.437 ' HD1' ' HH ' ' A' ' 20' ' ' TYR . 16.2 t-80 -50.39 -8.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.4 -178.102 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.548 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -87.32 -33.41 19.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.987 -179.837 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -87.97 -32.15 19.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.854 -178.261 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 49' ' ' ALA . 13.7 m-85 -136.72 67.49 58.16 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.35 -178.321 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.548 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.1 Cg_endo -45.29 -34.35 9.95 Favored 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 121.983 1.789 . . . . 0.0 111.562 -179.267 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.17 -2.44 2.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 46' ' ' PHE . . . -60.19 -66.35 0.54 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.854 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.433 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 5.7 p90 -167.59 162.01 13.98 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.59 179.627 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -82.88 93.19 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.28 -23.8 50.74 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 -179.229 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.28 -14.27 59.13 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.621 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -92.13 -17.86 24.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.804 -179.286 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.33 151.88 26.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.071 0.462 . . . . 0.0 111.142 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.95 164.1 24.21 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.353 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -74.87 -13.54 21.7 Favored 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 122.085 1.857 . . . . 0.0 110.136 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.73 -46.44 65.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.279 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -85.26 50.34 1.93 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.194 -179.082 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -62.94 -42.58 99.85 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -51.86 -49.33 63.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.432 0.634 . . . . 0.0 110.507 -178.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -66.1 -34.41 77.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.687 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.591 ' ND2' ' SG ' ' A' ' 39' ' ' CYS . 5.3 t30 -61.57 -42.74 99.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.528 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 39.8 m-85 -65.73 -57.75 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.368 179.344 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.9 m -52.37 -43.31 64.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.476 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.15 -50.67 73.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.129 -179.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 -39.06 76.5 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.944 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -79.57 -47.03 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.054 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 t -61.12 -29.19 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.798 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.9 m -80.1 -46.55 16.28 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.154 178.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.44 83.82 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 76' ' ' ASP . 85.2 tt0 -72.32 -50.93 23.2 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.697 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -58.02 -40.7 81.45 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.691 -0.803 . . . . 0.0 110.769 -178.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.5 mt -81.05 -51.69 8.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.93 4.86 15.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 72' ' ' GLU . 72.2 m-20 47.9 40.04 12.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 119.824 -0.751 . . . . 0.0 110.048 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.3 t -47.76 -171.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.646 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.57 171.87 12.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.326 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -125.22 69.51 1.14 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 mt -102.44 -26.33 13.3 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.629 -178.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -109.09 142.26 40.08 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.299 0.571 . . . . 0.0 112.035 -178.423 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -116.98 128.39 55.14 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.02 178.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.9 t -44.68 -55.84 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.761 -179.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 88' ' ' ARG . 96.8 m-20 -53.48 -46.41 69.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.396 -178.269 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -62.38 -45.03 94.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.01 0.433 . . . . 0.0 110.117 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 14.8 mtp -61.04 -46.23 91.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.46 0.648 . . . . 0.0 110.004 179.575 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.31 -41.94 78.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.093 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.447 ' HG3' HH11 ' A' ' 88' ' ' ARG . 54.4 ttm-85 -69.56 -47.29 64.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.773 0.321 . . . . 0.0 111.794 -179.311 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.31 -52.14 59.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.078 0.466 . . . . 0.0 110.337 -179.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 64.14 24.76 13.54 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.152 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 91' ' ' VAL . 73.6 t -162.49 59.88 0.98 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 113.822 -1.535 . . . . 0.0 109.644 -179.638 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.479 ' O ' ' O ' ' A' ' 91' ' ' VAL . 3.1 Cg_exo -43.83 175.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 121.909 1.739 . . . . 0.0 111.339 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 91.4 m-20 -111.05 126.21 54.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.228 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.3 p -50.85 -31.94 18.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.09 -178.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' A' ' 99' ' ' THR . 65.3 tttm -69.11 -42.43 76.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.37 178.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.628 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 2.4 p -65.78 -46.74 77.61 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.783 -179.25 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.628 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 91.1 t -63.12 -46.36 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 21.1 t80 -58.67 -50.21 74.7 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.981 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 18.2 m -58.42 -42.7 87.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.986 -179.773 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -62.55 -52.01 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.445 0.641 . . . . 0.0 110.446 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 105' ' ' TYR . 27.6 mm -59.36 -39.83 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.201 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -52.98 -59.18 4.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.741 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -60.36 -47.86 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.591 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.15 -45.34 93.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.767 -179.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' ILE . 84.0 t80 -54.32 -48.36 71.43 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.667 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -60.15 -43.2 95.93 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.777 -1.102 . . . . 0.0 111.106 -178.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.8 m -56.44 -41.6 76.7 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.738 178.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.99 -39.79 94.93 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.34 -47.03 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.438 -178.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -45.35 93.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -65.86 -15.23 62.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.332 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.61 23.53 76.63 Favored Glycine 0 N--CA 1.463 0.497 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.22 -49.43 27.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.001 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.34 -67.07 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.149 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -65.12 83.01 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.6 m -72.42 -58.81 3.09 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.303 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -126.86 104.45 8.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.202 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -72.5 130.8 41.5 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.468 -179.495 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.411 -1.475 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -70.6 -19.65 31.87 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.327 2.018 . . . . 0.0 110.071 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.89 -17.19 60.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.844 -179.509 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.42 163.9 37.97 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 7' ' ' ASN . 79.4 p -45.22 -36.56 3.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.914 0.388 . . . . 0.0 110.409 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -53.89 -6.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.692 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 5' ' ' SER . 55.8 t-20 -68.11 -39.44 82.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.982 179.401 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 tpt -56.32 -48.11 77.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.423 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.97 -46.2 85.67 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.431 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.99 -46.59 88.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.671 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -57.65 -46.85 83.66 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.563 1.173 . . . . 0.0 109.913 179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -67.31 -65.04 0.74 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.326 -2.215 . . . . 0.0 111.159 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' O ' ' OG1' ' A' ' 17' ' ' THR . 7.7 m -50.83 -50.66 56.09 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -59.99 -48.81 80.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.501 -179.445 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.06 -38.48 68.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.628 -179.002 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.469 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.2 mpp? -89.09 -0.73 57.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.687 -179.483 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 87.4 m -103.81 -5.77 22.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.325 -179.474 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -65.72 -46.21 79.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.715 0.769 . . . . 0.0 109.86 178.414 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -51.33 -30.0 17.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.995 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.56 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 64.6 m-85 -97.43 99.43 10.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.115 -179.453 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.603 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.96 -177.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.407 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.685 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 19.2 t-80 62.38 -1.02 0.45 Allowed 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.867 0.842 . . . . 0.0 108.796 -179.589 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.603 ' H ' ' C ' ' A' ' 21' ' ' GLU . 64.6 t -128.53 131.39 68.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.9 -179.657 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -146.82 110.63 4.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.716 179.23 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -82.96 94.83 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -93.36 -24.78 17.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.975 178.252 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -151.73 -172.07 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.24 178.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -104.61 -11.86 16.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.098 0.475 . . . . 0.0 110.472 -179.515 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 p -104.69 -71.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.778 -178.121 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -61.17 -42.63 98.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.196 -178.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.7 0.14 7.63 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.821 -178.626 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -113.09 -5.05 13.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.653 -179.575 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.434 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 70.9 m -63.33 -4.76 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.449 -178.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.531 ' C ' ' H ' ' A' ' 36' ' ' MET . 4.7 t -91.91 -24.47 19.29 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.721 -179.223 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.535 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 79.31 -16.18 10.39 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 -177.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.531 ' H ' ' C ' ' A' ' 34' ' ' SER . 36.3 mmm -62.61 -31.07 71.84 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.535 -0.833 . . . . 0.0 110.382 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -52.07 62.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.994 -178.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.17 -45.56 87.29 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.105 -178.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.493 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 8.9 m -68.32 -47.05 68.56 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.289 -179.265 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -62.17 -41.86 98.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.579 -177.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.09 -45.19 94.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.893 0.378 . . . . 0.0 110.767 -178.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.504 ' C ' ' H ' ' A' ' 44' ' ' LYS . 6.3 mm -66.46 -44.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.887 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.56 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 29.5 t-80 -55.38 -6.61 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.403 -178.038 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 42' ' ' ILE . 6.0 tmtt? -84.05 -35.04 24.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.341 -179.443 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.14 -19.31 17.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.674 -178.619 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -128.42 98.1 26.68 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.319 -178.44 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -74.53 -37.3 2.45 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.826 1.684 . . . . 0.0 111.721 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 21.4 mp0 -70.75 2.82 3.72 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -61.89 -77.55 0.05 OUTLIER 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.04 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.537 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.0 p90 -165.56 159.35 16.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.657 179.277 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -81.04 94.37 6.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -62.16 -22.06 65.57 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.203 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.32 -13.05 59.89 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.673 -179.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -96.31 -11.43 25.91 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.749 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -84.23 152.17 24.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.943 0.401 . . . . 0.0 111.105 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -123.92 164.18 30.85 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.436 -179.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -74.65 -9.11 21.09 Favored 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.308 2.005 . . . . 0.0 110.048 179.165 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.25 62.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.162 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -90.8 53.3 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.538 -178.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 33' ' ' SER . 57.3 mtp180 -64.33 -45.18 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.687 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -50.66 -48.42 58.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.191 0.52 . . . . 0.0 110.387 -178.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -65.85 -34.6 78.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.692 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 24.9 t30 -61.25 -42.49 98.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.53 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 56.1 m-85 -67.53 -55.29 14.09 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.389 179.482 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 69' ' ' SER . 16.7 m -54.15 -41.69 68.72 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.31 -49.52 76.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.65 84.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.96 -179.035 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -79.53 -48.41 13.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.002 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' THR . 24.4 t -65.67 -28.04 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.947 -179.74 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.7 m -79.14 -48.09 14.92 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.144 178.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.45 78.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.089 -179.599 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 76' ' ' ASP . 86.2 tt0 -74.78 -46.61 35.81 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 110.683 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -59.13 -42.86 91.63 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.702 -178.644 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.33 -44.26 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.87 2.49 17.05 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -177.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 72' ' ' GLU . 91.5 m-20 50.11 31.72 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.881 179.506 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' ASP . 22.7 p -49.21 -165.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.619 -178.879 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.64 174.98 7.07 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.274 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -131.31 40.14 3.46 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.44 -26.65 68.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.53 -178.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -112.35 145.75 39.51 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.357 0.599 . . . . 0.0 112.13 -178.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -114.23 140.95 48.15 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.117 178.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 52.9 t -58.0 -52.3 59.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.381 -178.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -53.93 -46.03 71.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.241 -178.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.65 -43.48 98.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.903 0.383 . . . . 0.0 110.19 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.53 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 4.5 mtp -60.95 -43.52 98.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.382 0.611 . . . . 0.0 109.68 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.27 -42.98 97.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.062 179.51 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -73.41 -50.2 23.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 111.712 -179.346 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.7 mt -55.32 -61.74 2.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.53 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 64.74 21.99 12.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -176.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' A' ' 92' ' ' PRO . 77.8 t -160.03 59.9 1.36 Allowed Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.695 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.49 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.5 Cg_endo -44.06 176.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.489 1.264 0 C-N-CA 121.989 1.792 . . . . 0.0 111.366 -179.578 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -112.41 128.16 56.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.368 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -49.52 -32.92 13.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.979 -178.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.44 ' O ' ' OG1' ' A' ' 99' ' ' THR . 32.4 tptt -73.85 -35.82 64.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.417 179.036 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.5 m -66.05 -52.12 51.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.629 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.38 -44.53 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 21.4 t80 -59.02 -51.35 70.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.176 -179.736 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.2 m -58.08 -43.49 87.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.232 -179.287 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.51 -50.83 71.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.489 0.661 . . . . 0.0 110.308 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' TYR . 26.2 mm -61.42 -40.93 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.207 179.792 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -50.51 -61.18 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.98 -45.03 91.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.645 -179.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.47 -43.48 98.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.3 t80 -53.67 -47.06 70.77 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.647 0.737 . . . . 0.0 109.757 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -60.18 -41.6 93.25 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.924 -179.01 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 t -59.22 -42.79 91.81 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.846 178.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.2 mt -62.01 -38.76 89.83 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.97 -46.75 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.462 -178.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -49.74 70.8 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.376 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -58.8 -19.64 42.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.226 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.53 77.81 Favored Glycine 0 N--CA 1.465 0.601 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.94 -43.35 58.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.422 -0.889 . . . . 0.0 111.185 179.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 81.3 t -47.89 -68.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.419 -178.089 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -80.23 117.85 21.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.811 0.338 . . . . 0.0 110.313 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.5 p -86.1 -58.77 2.51 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.261 -179.56 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -98.28 178.5 5.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.129 -179.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -148.81 114.21 5.58 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.184 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 54.9 tttp . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.468 -179.723 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -70.86 -55.65 0.14 Allowed 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.247 1.965 . . . . 0.0 110.126 179.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.24 -5.86 58.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.45 -179.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.89 58.75 3.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -60.5 -44.56 95.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.903 0.383 . . . . 0.0 110.947 -179.674 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 0.98 47.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.664 -179.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -39.77 95.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.787 179.471 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -59.16 -46.91 87.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.322 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.28 -43.71 97.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.459 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 49.2 tp -60.77 -47.51 85.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.334 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.1 -54.52 46.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.58 1.181 . . . . 0.0 110.144 179.505 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.504 ' O ' ' CE ' ' A' ' 16' ' ' MET . 84.6 t90 -53.33 -61.95 1.97 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 112.638 -2.074 . . . . 0.0 111.344 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 14.1 p -52.58 -43.81 65.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 110.985 179.62 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.605 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 69.0 ttp85 -63.2 -47.4 82.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.977 0.894 . . . . 0.0 110.154 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -54.09 -10.77 0.38 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.138 -179.366 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.2 mpp? -112.98 1.88 15.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.616 -179.415 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 14' ' ' ARG . 16.7 p -95.12 -8.68 35.77 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -64.83 -41.4 95.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 109.692 178.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.41 -36.45 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.026 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.553 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 97.0 m-85 -94.29 152.82 18.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.625 -179.541 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' C ' ' H ' ' A' ' 23' ' ' VAL . 45.8 mt-10 -118.75 172.89 7.2 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.741 -179.291 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 3.6 t60 60.43 4.63 0.73 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.533 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.537 ' H ' ' C ' ' A' ' 21' ' ' GLU . 74.0 t -123.95 128.19 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.035 -179.802 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 23.8 p-10 -147.15 109.64 4.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.631 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.9 mt -87.29 87.68 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.57 0.7 . . . . 0.0 112.329 -178.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -93.64 -23.51 18.24 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.123 178.579 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -142.19 179.6 6.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.042 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.417 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 58.1 m-85 -105.01 -12.16 16.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.007 0.432 . . . . 0.0 110.414 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -106.93 -69.92 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.686 -177.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -61.84 -43.11 99.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.383 -178.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.78 1.04 7.52 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.774 -178.495 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.417 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 30.8 m95 -112.84 -3.85 14.09 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.571 -179.386 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -54.22 -41.35 68.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.181 -178.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.537 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -63.5 -25.19 68.14 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.63 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 75.48 -9.29 15.35 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 108.686 -1.765 . . . . 0.0 108.686 -177.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.537 ' H ' ' C ' ' A' ' 34' ' ' SER . 4.0 mmt -62.83 -20.86 65.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.622 -0.789 . . . . 0.0 110.331 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.91 -48.18 32.64 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.522 -179.698 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.32 -43.42 83.28 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.871 -179.397 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.502 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 5.5 m -71.76 -45.8 60.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.955 0.407 . . . . 0.0 111.045 -179.255 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.75 95.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.34 -178.21 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.62 -44.21 91.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.415 HG23 HD12 ' A' ' 42' ' ' ILE . 26.0 mm -65.49 -44.12 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.688 179.501 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.553 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 39.2 t-80 -59.79 -8.68 2.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 111.478 -178.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 44' ' ' LYS . 3.6 tmtt? -75.54 -41.05 55.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.56 0.695 . . . . 0.0 111.142 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -99.97 -15.0 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.88 -177.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -124.0 97.64 40.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.279 -178.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.9 Cg_endo -75.56 -40.55 0.75 Allowed 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.787 1.658 . . . . 0.0 111.815 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.78 -2.69 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -58.4 -78.19 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.046 -179.491 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.434 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 9.2 p90 -168.61 162.83 12.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.575 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 54' ' ' GLU . 7.8 t0 -84.44 96.44 9.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.727 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.513 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 22.9 t80 -64.94 -20.17 66.33 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.171 -179.329 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.5 -9.71 59.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.59 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 2.0 mm-40 -97.14 -12.56 22.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 -179.267 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.4 -176.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.959 0.409 . . . . 0.0 111.206 -178.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.72 171.97 6.74 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.054 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -75.46 -17.11 18.83 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.087 1.858 . . . . 0.0 110.304 179.035 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.03 -3.82 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.032 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -108.88 36.55 2.83 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.018 -178.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -64.87 -56.67 11.99 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.261 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -51.64 -45.66 63.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.465 0.65 . . . . 0.0 110.182 -178.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -66.49 -34.6 78.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.502 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 28.2 t-20 -61.05 -42.71 98.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.621 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 39.9 m-85 -69.07 -53.63 19.34 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.867 179.502 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 m -56.22 -42.65 77.6 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.384 -0.527 . . . . 0.0 109.725 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.46 -50.53 73.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.176 -179.373 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.09 -36.36 70.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.986 -178.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 43.3 m-85 -81.75 -49.87 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.017 179.73 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.4 m -61.46 -32.59 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.823 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -77.75 -47.71 18.37 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.277 178.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.84 77.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.782 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 39.1 tp10 -71.71 -49.51 38.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.626 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -59.06 -41.06 87.04 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.755 -179.002 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -77.65 -48.61 16.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -178.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.81 8.0 9.94 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 30.5 t70 47.24 37.19 5.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.978 179.297 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 84.1 m -48.85 -166.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.122 -0.945 . . . . 0.0 112.498 -179.035 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.8 169.44 15.17 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.267 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -131.7 33.91 3.95 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.021 0.438 . . . . 0.0 110.055 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.32 -22.5 66.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.335 -178.312 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -110.53 147.63 33.76 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.227 0.537 . . . . 0.0 112.217 -178.42 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -116.42 140.71 49.05 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.474 179.093 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.2 t -57.94 -51.96 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.393 -178.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -55.09 -45.39 75.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.009 -178.489 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -57.74 -46.22 84.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.206 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.621 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 3.2 mtm -61.21 -45.76 93.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.409 0.623 . . . . 0.0 110.141 178.595 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.75 -42.01 91.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.635 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' A' ' 88' ' ' ARG . 40.0 ttm-85 -73.66 -50.26 21.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.732 0.301 . . . . 0.0 111.621 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.3 mt -68.0 -48.18 66.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.193 0.52 . . . . 0.0 110.007 -178.504 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 56.21 31.51 18.54 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -177.376 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 92' ' ' PRO . 79.5 t -161.84 62.39 1.42 Allowed Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.749 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.469 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.7 Cg_endo -45.18 177.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.951 1.767 . . . . 0.0 111.172 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -113.24 128.98 56.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.247 179.425 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.0 p -49.05 -34.2 13.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.056 -178.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.427 ' O ' ' OG1' ' A' ' 99' ' ' THR . 19.3 ttpp -73.63 -35.37 65.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 179.084 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.1 m -65.99 -51.05 61.88 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.648 -179.057 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.87 -44.54 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.603 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 20.3 t80 -59.09 -51.58 69.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.168 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 24.1 m -57.97 -44.95 87.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.241 -179.595 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.08 -50.06 73.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.327 0.584 . . . . 0.0 110.185 179.41 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.4 mm -59.95 -40.24 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.99 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -50.87 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.72 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -57.07 -45.77 83.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.62 -179.049 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.6 tp -59.29 -46.06 89.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.888 -179.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -52.87 -48.31 67.21 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.724 -179.287 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.9 -39.22 84.63 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.428 -178.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 t -61.14 -41.32 96.53 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.918 178.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.0 mt -67.04 -36.49 82.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.068 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.04 -49.48 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.674 -178.068 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -65.57 -47.07 77.04 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.178 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -56.39 -30.25 62.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.115 -179.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.26 19.29 55.64 Favored Glycine 0 N--CA 1.463 0.499 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.077 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.7 mt -77.15 -36.14 55.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.451 -0.875 . . . . 0.0 110.846 179.223 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.74 -36.17 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.24 -179.034 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -107.74 95.47 5.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.002 0.429 . . . . 0.0 110.335 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.85 -49.55 3.62 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.275 -179.648 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -141.7 137.5 31.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.019 0.438 . . . . 0.0 110.914 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -71.22 134.75 47.11 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.79 178.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.416 -179.589 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.59 ' C ' ' H ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -72.12 22.88 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.339 2.026 . . . . 0.0 110.402 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.59 ' H ' ' C ' ' A' ' 1' ' ' GLY . 46.7 mt -50.17 -34.01 21.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.878 -178.744 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' MET . . . 51.61 -84.9 0.01 OUTLIER Glycine 0 N--CA 1.464 0.538 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' LEU . 94.7 p -43.75 -65.99 0.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.01 0.433 . . . . 0.0 110.743 -179.352 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' N ' ' OG ' ' A' ' 5' ' ' SER . 24.7 ttmt -47.82 -49.74 28.18 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.291 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.35 -40.71 96.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.031 179.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' GLY . 14.5 tpt -58.45 -45.56 88.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.384 -179.758 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.17 -43.16 92.6 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.555 179.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.39 -48.56 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.649 -179.357 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -55.39 -50.85 68.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.519 1.152 . . . . 0.0 109.961 179.668 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.476 ' O ' ' CE ' ' A' ' 16' ' ' MET . 89.0 t90 -60.45 -58.28 9.15 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 112.499 -2.137 . . . . 0.0 110.968 -179.704 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.54 -45.95 66.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.083 0.468 . . . . 0.0 110.746 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -61.46 -48.72 79.86 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -50.57 -23.34 2.48 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.144 -179.624 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.1 mpp? -107.92 -1.93 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.569 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -88.57 -11.74 44.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.33 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.84 -24.03 63.39 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.513 0.673 . . . . 0.0 109.847 179.271 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -67.88 -39.37 83.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.473 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.462 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 74.4 m-85 -105.65 100.34 9.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.117 -178.83 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.613 ' C ' ' H ' ' A' ' 23' ' ' VAL . 15.7 pt-20 -67.99 -173.02 0.33 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.619 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.0 OUTLIER 60.72 0.1 0.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.534 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.613 ' H ' ' C ' ' A' ' 21' ' ' GLU . 80.3 t -126.09 131.48 71.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.341 -179.519 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 40.2 p-10 -141.87 109.57 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.818 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.3 mt -83.52 92.94 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -98.03 -23.6 15.7 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.702 -1.136 . . . . 0.0 108.825 178.222 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -148.68 -177.91 6.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.197 178.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -103.37 -7.11 21.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.03 0.443 . . . . 0.0 110.262 -179.435 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -105.8 -69.41 0.82 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.2 p -59.93 -44.14 94.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.662 -178.181 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.6 m -72.33 3.81 4.34 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.327 -178.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -115.79 -7.22 12.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.602 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.2 p -55.84 -34.43 65.41 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.491 -178.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 36' ' ' MET . 2.4 t -68.97 -24.6 64.26 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.762 -179.292 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 80.29 -11.05 39.43 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -178.013 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.461 ' H ' ' C ' ' A' ' 34' ' ' SER . 47.3 mmm -63.1 -29.78 71.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.246 179.351 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.33 62.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.543 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.38 -45.95 83.94 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.063 -179.109 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 4.1 m -67.25 -45.28 77.17 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.191 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.72 99.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.143 -178.451 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.21 -45.75 93.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.96 0.409 . . . . 0.0 110.434 -179.046 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mm -65.51 -43.29 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.462 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 66.5 t-80 -55.78 -16.42 4.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.008 0.432 . . . . 0.0 111.265 -178.467 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -71.68 -41.24 68.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.155 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -97.71 -15.02 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.989 -177.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -131.17 92.99 31.35 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.299 -178.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -76.19 -42.98 0.33 Allowed 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.959 1.772 . . . . 0.0 111.977 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -60.82 -14.15 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.33 -68.18 0.2 Allowed 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.903 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -169.61 164.54 10.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.656 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -84.34 97.2 9.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.48 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -61.56 -23.53 66.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 120.872 0.367 . . . . 0.0 111.124 -178.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.57 -18.46 51.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.768 -179.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -83.99 -20.17 33.28 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.8 -172.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.238 -179.094 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -155.79 136.83 9.19 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.097 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -55.43 -25.28 47.67 Favored 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 121.952 1.768 . . . . 0.0 109.768 -179.142 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.39 89.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.373 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.05 57.83 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.471 -179.392 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -71.64 -44.7 63.89 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -52.41 -47.88 66.05 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.324 0.583 . . . . 0.0 110.181 -178.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -67.55 -34.33 76.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.503 179.349 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.527 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 19.2 t-20 -61.29 -43.62 98.57 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.466 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.459 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 41.5 m-85 -66.93 -56.2 11.28 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.7 179.318 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.9 m -51.57 -42.51 61.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.461 ' O ' ' OG1' ' A' ' 70' ' ' THR . 60.5 tp -59.83 -50.09 75.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.191 -179.498 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.74 -39.47 80.99 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.196 -178.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -76.44 -46.88 25.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.125 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.0 m -65.79 -27.86 68.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.765 -179.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 20.4 m -77.24 -51.32 11.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.189 178.451 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.09 77.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.857 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' ASP . 43.7 tp10 -71.15 -49.73 40.84 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.081 0.467 . . . . 0.0 110.627 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.36 -40.99 92.74 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.619 -178.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.98 -43.67 16.14 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -178.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.22 2.92 10.9 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -177.59 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.3 t70 49.34 36.98 10.61 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.747 179.444 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.6 t -49.2 -166.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.645 -178.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.7 172.25 9.39 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.194 179.543 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -127.89 36.2 4.37 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.75 -24.77 67.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.43 -178.246 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mt -114.97 142.65 46.34 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.243 0.544 . . . . 0.0 112.232 -178.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -112.75 132.49 55.2 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.245 178.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.6 t -47.19 -53.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.601 -179.389 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -54.92 -46.26 74.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.287 -178.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.4 -44.62 95.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.9 0.381 . . . . 0.0 110.153 -179.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.459 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 12.6 mtp -61.66 -44.29 97.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.468 0.651 . . . . 0.0 110.079 179.131 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.11 -44.54 95.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.241 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -70.84 -47.18 60.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.776 -179.27 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.51 -50.29 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.451 . . . . 0.0 110.603 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 59.73 28.28 17.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.23 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 56.1 t -164.06 88.96 1.13 Allowed Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 113.748 -1.569 . . . . 0.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.15 -174.9 1.51 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.937 1.758 . . . . 0.0 111.429 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -121.15 130.47 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.382 179.356 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.6 p -48.88 -31.82 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.928 -178.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.472 ' O ' ' OG1' ' A' ' 99' ' ' THR . 18.1 tptp -73.29 -37.07 66.36 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.443 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.7 m -66.78 -52.36 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.774 -179.209 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.53 -44.09 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 18.8 t80 -59.2 -51.62 69.19 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.151 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.0 m -58.23 -43.86 87.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.25 -179.437 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -61.96 -50.61 71.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.455 0.645 . . . . 0.0 110.342 179.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.4 mm -59.88 -39.89 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.069 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -50.11 -63.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' OE1' ' O ' ' A' ' 99' ' ' THR . 2.5 mp0 -55.76 -44.16 77.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.598 0.713 . . . . 0.0 109.843 -178.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.87 -42.17 97.58 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.114 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.5 t80 -55.64 -53.0 61.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.159 -177.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -63.44 -33.55 75.8 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.289 -178.319 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.1 m -61.38 -37.5 83.63 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.582 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.11 -41.11 74.43 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.171 0.51 . . . . 0.0 110.926 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.92 -48.11 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -177.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.29 -40.86 98.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -62.58 -29.35 70.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.226 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.74 14.93 51.48 Favored Glycine 0 N--CA 1.465 0.588 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.097 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.93 -46.4 44.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.432 -0.884 . . . . 0.0 111.08 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.7 t -85.4 -36.81 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.172 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -95.34 103.69 15.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.838 0.352 . . . . 0.0 110.24 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 p -104.21 -14.36 15.86 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.406 -179.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -73.37 -77.12 0.11 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.351 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -77.71 169.62 17.97 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.391 -179.696 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -71.85 107.18 2.15 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.23 1.953 . . . . 0.0 110.523 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt -93.55 3.31 55.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.429 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.96 91.1 0.11 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 m -73.32 -66.2 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.407 . . . . 0.0 110.642 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -49.18 -24.77 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.561 -179.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -64.06 -38.76 92.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.938 179.514 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' A' ' 8' ' ' MET . 1.4 tmt? -60.14 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.497 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.61 -43.62 96.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.571 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.21 -47.35 86.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.42 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.77 -52.31 66.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.461 1.124 . . . . 0.0 109.91 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -54.63 -59.8 4.21 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 112.824 -1.989 . . . . 0.0 111.202 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.436 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.0 m -54.48 -45.65 73.25 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.087 0.47 . . . . 0.0 110.431 179.523 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -61.22 -50.44 73.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.664 179.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.77 -22.93 39.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.384 -179.092 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.6 mpp? -106.19 0.49 25.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.663 -179.354 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 73.9 m -109.39 -4.05 16.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.054 -179.785 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 20' ' ' TYR . 74.5 mtp85 -64.79 -55.48 19.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.521 0.677 . . . . 0.0 109.808 179.02 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -41.2 -24.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.017 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.5 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 24.5 m-85 -93.23 154.41 18.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.432 179.804 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.7 pm0 -121.26 174.1 6.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 -179.275 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.3 t60 61.11 0.99 0.44 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.407 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.585 ' H ' ' C ' ' A' ' 21' ' ' GLU . 75.9 t -124.14 130.62 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.823 -179.692 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 1.0 OUTLIER -145.81 108.71 4.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.64 179.571 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.7 mt -85.97 92.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.495 0.664 . . . . 0.0 112.492 -178.153 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -97.33 -23.17 16.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.065 178.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -144.92 180.0 6.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.228 178.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.409 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 63.2 m-85 -104.0 -9.3 18.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.101 0.477 . . . . 0.0 110.392 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -108.21 -69.1 0.87 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.709 -177.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.8 t -61.27 -44.19 97.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.281 -178.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.05 0.88 6.58 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.696 -178.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.409 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.5 m95 -113.98 -4.81 13.19 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.649 -179.117 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -61.1 -4.04 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.515 -178.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.4 m -95.34 -27.21 15.57 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.6 0.238 . . . . 0.0 111.608 -179.368 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 80.29 -15.28 18.24 Favored Glycine 0 N--CA 1.459 0.174 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 -178.127 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.498 ' H ' ' C ' ' A' ' 34' ' ' SER . 42.7 mmm -61.85 -26.39 68.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.67 -0.765 . . . . 0.0 110.319 179.87 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.21 45.0 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.923 -179.141 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.17 -46.71 82.55 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.231 -178.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 27.8 p -68.62 -43.47 76.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.796 -179.841 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.429 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.1 -42.77 99.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.218 -178.845 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.36 -43.78 98.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.031 0.443 . . . . 0.0 110.607 -178.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.0 mm -64.58 -42.25 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 179.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.5 ' HD1' ' HH ' ' A' ' 20' ' ' TYR . 52.4 t-80 -56.12 -40.53 73.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 -179.018 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -51.1 -40.22 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.524 0.678 . . . . 0.0 110.745 -178.629 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.0 -45.55 19.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.637 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.8 m-85 -114.82 79.54 5.94 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.312 -177.888 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -47.24 -34.72 18.74 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.727 1.618 . . . . 0.0 111.64 -179.37 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.502 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 56.1 mp0 -64.31 -16.7 62.68 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.207 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' PHE . . . -34.25 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.156 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 2.7 p90 -170.16 166.01 9.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.858 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 43.5 t0 -79.64 95.53 5.94 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.782 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -67.27 -23.44 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.142 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.58 -11.96 59.95 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.73 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -92.61 -13.21 29.92 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.615 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.38 146.57 31.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.01 0.433 . . . . 0.0 110.955 -178.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.529 ' C ' ' H ' ' A' ' 58' ' ' ALA . 19.9 m-20 -122.18 143.17 38.44 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.222 -179.578 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.36 -9.12 0.47 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.026 1.817 . . . . 0.0 110.013 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -86.79 -8.85 56.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.978 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -114.66 44.99 1.64 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.953 -178.656 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -64.91 -44.41 89.66 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.551 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -48.66 -54.84 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.222 0.534 . . . . 0.0 110.396 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 66' ' ' LEU . 88.4 m-70 -63.43 -33.24 75.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.637 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.463 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 13.6 t-20 -58.39 -45.57 88.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.151 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.448 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 59.0 m-85 -67.24 -56.8 8.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.367 179.633 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 m -52.95 -43.73 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.129 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 61.9 tp -61.7 -50.05 74.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.2 -179.659 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.02 80.65 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.938 -179.185 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -78.28 -45.92 21.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -63.09 -31.73 72.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -76.06 -48.22 21.67 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.409 178.659 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.12 -34.88 79.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.799 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 76' ' ' ASP . 43.0 tt0 -69.48 -50.1 48.49 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.625 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.48 -40.21 90.47 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.749 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -79.26 -46.22 18.22 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.42 7.83 8.37 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 72' ' ' GLU . 71.6 m-20 49.4 40.51 18.87 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.953 179.362 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.9 t -44.55 -172.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.665 -178.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.63 172.27 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.443 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -124.13 38.73 4.13 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.6 mt -68.5 -28.63 67.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.644 -178.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mt -117.67 142.21 47.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.235 0.54 . . . . 0.0 112.332 -178.173 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.488 ' N ' ' OD2' ' A' ' 85' ' ' ASP . 81.7 mt-10 -110.48 141.79 43.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.29 179.057 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.34 -51.91 58.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.358 -178.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.24 -46.19 72.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.428 -178.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -64.5 -43.55 93.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.1 0.476 . . . . 0.0 110.405 -179.879 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.464 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 5.2 mtp -62.37 -44.57 96.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.577 0.703 . . . . 0.0 109.279 -179.506 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -69.85 -42.03 79.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.913 179.249 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -70.83 -47.0 61.75 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.742 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.93 -50.78 63.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.072 0.463 . . . . 0.0 110.286 -179.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.401 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 61.89 24.51 14.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -177.469 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 54.2 t -162.36 89.32 1.38 Allowed Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.501 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.33 -175.34 1.95 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.909 1.739 . . . . 0.0 111.239 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -117.32 129.55 55.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.182 179.461 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 m -49.38 -33.58 14.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.967 -178.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.439 ' O ' ' OG1' ' A' ' 99' ' ' THR . 64.0 tttp -73.66 -36.22 65.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.563 179.003 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.7 m -66.01 -50.16 65.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.988 0.423 . . . . 0.0 110.691 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.27 -44.9 99.66 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 18.1 t80 -58.16 -50.63 72.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.121 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.9 m -58.37 -42.77 87.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.986 -179.555 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -62.41 -50.34 71.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.308 0.575 . . . . 0.0 110.133 179.435 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.02 -41.36 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.966 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -49.92 -62.78 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.879 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.47 -45.74 88.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.884 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.7 tp -59.59 -45.69 91.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -53.28 -48.09 68.61 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.572 0.701 . . . . 0.0 109.659 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -60.24 -38.13 82.49 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.13 -178.498 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.8 t -60.82 -40.78 94.04 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.854 178.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.28 -37.82 81.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.15 179.518 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.35 -48.64 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.968 -178.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -64.94 -42.01 95.02 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.311 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -64.53 -19.13 65.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.141 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.98 77.38 Favored Glycine 0 N--CA 1.463 0.456 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.2 mt -72.93 -45.58 57.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.838 -0.681 . . . . 0.0 110.982 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.25 -29.1 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.104 -178.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -104.85 103.92 13.6 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.209 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 m -75.48 -56.24 4.9 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.556 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -144.6 141.94 29.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.092 -179.659 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 119' ' ' LYS . 62.4 pttt -89.61 137.62 32.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.247 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 118' ' ' LYS . 17.0 pttp . . . . . 0 N--CA 1.466 0.369 0 CA-C-O 117.831 -1.08 . . . . 0.0 111.169 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -55.27 -34.48 88.51 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.026 1.817 . . . . 0.0 109.881 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.7 mt -80.95 -59.16 2.77 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.35 126.55 0.97 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m -61.43 -60.67 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.014 0.435 . . . . 0.0 110.534 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -45.52 -41.78 10.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.595 -179.584 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -65.0 -41.63 95.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.038 0.447 . . . . 0.0 110.126 179.658 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 tpt -59.79 -49.3 78.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.97 -45.06 87.27 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.365 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.58 -47.5 85.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.696 -179.296 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.04 -51.03 70.9 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 122.644 1.212 . . . . 0.0 109.939 179.624 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -60.75 -62.61 1.73 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 112.386 -2.188 . . . . 0.0 111.543 -179.729 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t -51.55 -45.11 62.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.139 0.495 . . . . 0.0 111.335 179.558 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -58.79 -44.66 90.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.1 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.9 -32.59 46.02 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.466 -179.356 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.1 mmt -88.39 -3.72 58.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.823 -179.536 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.2 m -89.2 -13.66 37.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.501 -179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -65.79 -39.64 91.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.62 0.724 . . . . 0.0 109.675 179.228 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -64.67 -37.57 88.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.376 -1.283 . . . . 0.0 110.222 179.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.457 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 72.4 m-85 -91.54 152.12 20.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.935 -179.424 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.7 pm0 -119.78 172.08 7.95 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.557 -179.576 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.636 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 38.1 t-80 62.38 3.93 1.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.301 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 21' ' ' GLU . 69.3 t -126.95 127.81 70.13 Favored 'Isoleucine or valine' 0 C--O 1.23 0.066 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.743 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.88 111.57 6.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.853 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.2 mt -87.79 84.33 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 112.25 -178.119 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -92.57 -25.19 18.46 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.059 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -143.44 -176.07 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.294 178.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.418 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 64.7 m-85 -108.17 -13.26 14.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.201 0.524 . . . . 0.0 110.456 -179.753 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.4 t -105.87 -71.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.922 -178.344 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.1 t -61.71 -44.45 96.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.303 -178.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.1 m -69.55 1.84 3.7 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.033 -178.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.418 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.2 m95 -114.32 -3.1 13.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.695 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -54.72 -32.97 60.41 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.324 -179.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.586 ' C ' ' H ' ' A' ' 36' ' ' MET . 78.3 p -67.3 -24.94 65.81 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.538 -179.241 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.48 -12.41 5.88 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 -178.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.586 ' H ' ' C ' ' A' ' 34' ' ' SER . 69.8 mtp -65.9 -16.65 64.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.563 -0.818 . . . . 0.0 110.359 179.644 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.3 -49.34 35.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -56.79 -44.08 81.55 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.012 -178.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 91.3 m -70.02 -45.17 67.79 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.243 -179.696 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.1 95.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.657 -178.568 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 45' ' ' PHE . 46.1 tp -66.58 -43.03 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.967 0.413 . . . . 0.0 110.976 -179.006 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.525 ' C ' ' H ' ' A' ' 44' ' ' LYS . 30.4 mm -68.37 -45.67 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.933 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 28.1 t-80 -59.36 -1.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.267 -178.575 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.525 ' H ' ' C ' ' A' ' 42' ' ' ILE . 13.4 tmtt? -83.95 -36.53 23.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.633 -179.078 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -99.13 -17.15 18.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.681 -178.142 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -123.14 99.13 41.03 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.486 -178.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.64 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -75.14 -40.37 0.89 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.814 1.676 . . . . 0.0 111.867 -179.743 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.25 14.68 0.21 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.64 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -77.13 -77.53 0.14 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.752 -179.382 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 27.0 p90 -166.95 160.54 14.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.671 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -84.43 97.15 9.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.711 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -61.55 -22.22 64.97 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.05 -179.342 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.67 -15.89 55.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.568 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -86.93 -20.38 27.43 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.56 -179.649 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.81 150.7 32.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.055 0.455 . . . . 0.0 110.849 -179.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.83 146.25 37.36 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.395 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -50.86 -23.5 11.86 Favored 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 122.057 1.838 . . . . 0.0 109.952 -179.498 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.61 94.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.447 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -82.51 68.98 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.503 -179.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.548 ' O ' ' ND2' ' A' ' 63' ' ' ASN . 14.5 ptm180 -84.7 -47.06 10.84 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 67.6 mtm180 -51.48 -45.61 62.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.302 0.572 . . . . 0.0 110.147 -178.337 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -64.19 -35.37 80.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -60.77 -45.17 95.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.166 0.507 . . . . 0.0 111.167 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD2' ' ND2' ' A' ' 63' ' ' ASN . 53.3 m-85 -65.7 -53.58 38.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.607 -179.518 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 m -57.85 -45.04 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.698 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.58 -48.07 82.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.255 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.7 79.84 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.956 -0.697 . . . . 0.0 110.055 -179.18 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 25.7 m-85 -80.91 -48.45 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.965 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 m -60.95 -29.46 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.64 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.7 m -77.82 -47.23 19.38 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.086 178.591 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -63.25 -33.95 76.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' ASP . 93.4 mt-10 -70.42 -50.47 38.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.212 0.53 . . . . 0.0 110.812 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -62.02 -40.35 95.41 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.848 -179.006 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.44 -37.98 19.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -122.59 -0.93 9.1 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -177.638 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' GLU . 57.3 t0 47.54 36.91 5.73 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.815 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.438 ' HG ' ' H ' ' A' ' 78' ' ' ALA . 3.9 t -50.32 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.724 -178.817 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 103' ' ' GLU . . . -86.51 172.85 10.0 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.165 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -126.98 70.8 1.29 Allowed 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -101.07 -25.7 13.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.57 -178.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -110.35 140.57 44.41 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.171 0.51 . . . . 0.0 111.896 -178.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -115.82 126.17 53.64 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.02 179.047 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.3 t -45.16 -53.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.531 -179.027 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.83 -46.42 71.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.304 -178.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -64.68 -42.83 95.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.939 0.4 . . . . 0.0 110.042 -179.623 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.482 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 4.6 mtp -62.09 -45.27 94.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.574 0.702 . . . . 0.0 109.8 179.113 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.8 t -66.05 -43.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.851 179.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -70.26 -47.41 61.41 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.764 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.71 -49.05 67.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.042 0.449 . . . . 0.0 110.422 -179.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.435 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . 59.23 30.19 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -177.224 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 53.6 t -164.78 92.88 0.95 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 113.861 -1.518 . . . . 0.0 109.437 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -73.52 -177.69 3.23 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 C-N-CA 121.994 1.796 . . . . 0.0 111.385 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -119.3 130.25 55.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.219 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 p -48.53 -32.99 8.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.006 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.48 ' O ' ' OG1' ' A' ' 99' ' ' THR . 35.8 tptt -74.03 -36.34 64.42 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.66 178.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.7 m -66.17 -53.53 36.4 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -178.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.93 -44.11 97.3 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 98' ' ' TYR . 18.9 t80 -58.33 -50.85 72.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.942 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.7 m -58.57 -42.69 88.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.128 -179.581 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -61.3 -51.64 68.02 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.485 0.66 . . . . 0.0 110.4 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.4 mm -60.35 -40.1 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.156 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.36 -60.71 2.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.729 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 78' ' ' ALA . 65.3 mt-10 -59.11 -46.03 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.554 -179.262 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 107' ' ' SER . 22.7 tp -59.45 -46.53 88.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.633 -179.483 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -52.74 -47.42 67.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.507 0.67 . . . . 0.0 109.663 -179.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.16 -41.86 97.52 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.955 -178.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 104' ' ' LEU . 86.0 p -59.49 -38.75 81.69 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.899 179.145 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.76 -39.92 95.45 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.834 179.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.13 -46.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.429 -178.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.8 -51.5 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.413 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.68 -25.03 59.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.201 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.89 21.14 63.96 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.294 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.9 mt -72.01 -44.19 63.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.393 -0.904 . . . . 0.0 111.031 179.124 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.86 -29.96 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.177 -179.418 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -92.04 54.2 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.002 0.429 . . . . 0.0 110.217 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.9 m -95.24 -38.27 10.63 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.618 -179.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -144.97 157.95 43.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.618 -179.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -75.47 158.64 32.33 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.134 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.364 -179.548 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.8 OUTLIER -61.64 -48.53 80.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.257 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.436 HD12 ' CE2' ' A' ' 98' ' ' TYR . 90.9 mt -66.35 -42.55 87.94 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.89 -48.14 81.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.651 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.85 -47.89 79.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.563 1.173 . . . . 0.0 109.886 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -63.68 -61.58 2.22 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 112.426 -2.17 . . . . 0.0 111.201 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 m -51.53 -44.52 62.65 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.008 0.432 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -60.72 -45.67 93.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.228 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.77 -27.54 3.04 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.109 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.4 mmt -91.3 -15.58 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.382 . . . . 0.0 110.656 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' TYR . 71.2 m -75.69 -17.87 59.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.462 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.94 -37.67 84.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.618 0.723 . . . . 0.0 109.807 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -64.54 -38.52 91.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.363 -1.289 . . . . 0.0 110.207 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.485 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 65.0 m-85 -99.53 161.94 13.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.851 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.8 mp0 -123.29 178.25 5.22 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.755 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.615 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 47.7 t-80 62.47 4.4 1.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 21' ' ' GLU . 94.6 t -123.67 128.33 74.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.759 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 40.5 p-10 -137.08 106.02 5.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.742 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.6 mt -87.87 80.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.567 0.699 . . . . 0.0 112.308 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -104.32 -0.58 28.05 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.232 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -162.32 173.76 13.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.292 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -105.57 -12.63 15.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.97 0.414 . . . . 0.0 110.37 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -106.45 -71.39 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.755 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.2 m -60.96 -44.53 97.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.149 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -68.32 0.77 3.5 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.822 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -114.65 -3.61 12.86 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.682 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -56.73 -19.16 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.469 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.535 ' C ' ' H ' ' A' ' 36' ' ' MET . 6.5 m -82.09 -22.71 36.15 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.584 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 74.71 -12.48 6.09 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.604 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 94.2 mtp -65.0 -20.04 66.3 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.675 -0.763 . . . . 0.0 110.079 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.4 -48.84 47.31 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.639 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -57.05 -41.99 79.72 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.015 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 21.1 p -71.25 -45.0 64.2 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.06 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.565 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.51 -42.96 99.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.526 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.19 -43.49 98.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 110.659 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.8 mm -67.63 -43.47 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.408 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 34.5 t-80 -56.66 -14.3 3.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.996 0.427 . . . . 0.0 111.341 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -71.45 -39.74 70.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.858 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.88 -14.83 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.912 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -127.02 99.28 28.94 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.293 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -75.65 -36.74 2.03 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.959 1.773 . . . . 0.0 111.737 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -66.91 -16.69 64.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.8 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.124 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 6.7 p90 -168.82 162.99 11.71 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.711 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -80.64 97.62 7.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.58 -25.48 67.35 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.884 0.373 . . . . 0.0 111.056 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.88 -12.84 60.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.751 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -94.54 -10.67 31.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.654 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.56 154.01 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.088 0.471 . . . . 0.0 110.965 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -131.22 165.0 38.44 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.113 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -76.86 -1.27 11.4 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.351 2.034 . . . . 0.0 109.977 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.18 -44.05 60.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.289 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 19.4 ptmt -97.46 63.58 1.79 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.726 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -65.07 -42.21 94.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -52.72 -47.96 66.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.699 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -66.65 -35.86 81.17 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 16.4 t-20 -60.7 -42.08 96.47 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.542 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.531 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.8 m-85 -68.89 -53.84 18.9 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.687 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.1 m -56.64 -43.27 80.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 70' ' ' THR . 65.4 tp -61.88 -49.48 76.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.61 -39.41 80.36 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.899 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 41.7 m-85 -79.81 -49.43 12.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.249 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 m -61.09 -30.39 70.32 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 24.0 m -75.78 -50.47 15.11 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.295 178.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.17 72.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' ASP . 74.6 tt0 -70.04 -51.89 28.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.112 0.482 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.56 -38.93 91.98 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.988 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.38 -38.92 19.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.43 1.26 8.34 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 72' ' ' GLU . 59.7 t0 48.34 37.24 8.24 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.839 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 76' ' ' ASP . 18.6 p -47.06 -167.87 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.546 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.42 172.86 9.07 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.306 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -124.37 40.87 3.63 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.987 0.422 . . . . 0.0 109.872 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.28 -28.8 64.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.662 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.8 mt -112.05 143.15 43.54 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 121.198 0.523 . . . . 0.0 112.26 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -113.8 131.06 56.37 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.144 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 87' ' ' VAL . 77.7 t -49.23 -53.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.719 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -54.54 -45.04 73.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.305 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -62.01 -44.44 96.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.93 0.395 . . . . 0.0 110.212 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.531 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 9.2 mtp -60.89 -43.56 98.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.083 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' VAL . 71.3 t -63.63 -44.69 98.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.109 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -71.77 -48.62 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.565 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.86 -51.66 63.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.037 0.446 . . . . 0.0 110.5 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.13 28.84 18.25 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 90' ' ' ALA . 55.8 t -163.51 92.64 1.12 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 113.788 -1.551 . . . . 0.0 109.423 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.03 -178.49 3.58 Favored 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 121.939 1.76 . . . . 0.0 111.39 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -117.95 131.23 56.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.458 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.3 m -48.45 -33.72 9.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.946 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -74.18 -34.64 63.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.429 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.9 m -67.78 -52.92 31.49 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.068 0.461 . . . . 0.0 110.745 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.26 -44.17 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 19.6 t80 -60.89 -50.92 71.47 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.097 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.43 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 86.5 m -59.66 -42.93 93.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.694 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -61.13 -50.88 71.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.505 0.669 . . . . 0.0 110.028 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.4 mm -59.85 -38.04 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.119 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -53.6 -57.32 11.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' A' ' 99' ' ' THR . 1.6 mp0 -60.34 -46.18 90.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.588 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.5 tp -60.38 -44.69 95.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.638 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -53.24 -48.53 68.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.573 0.701 . . . . 0.0 109.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.65 -44.45 93.54 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.106 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.7 t -57.41 -40.83 79.12 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.836 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.02 -39.45 94.8 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.72 -47.14 94.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.436 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.67 -52.83 58.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -53.99 -26.13 24.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.215 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.36 20.39 64.52 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 mt -72.31 -45.03 61.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.48 -0.86 . . . . 0.0 111.101 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 CA--C 1.532 0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.242 -179.277 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 121.126 0.488 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 tpt -60.64 -46.46 90.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.284 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.444 HD12 ' CE2' ' A' ' 98' ' ' TYR . 88.4 mt -62.45 -43.58 98.48 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.353 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.67 -48.03 82.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.812 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -58.74 -52.37 65.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.661 1.22 . . . . 0.0 110.233 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -58.16 -63.75 1.16 Allowed 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 112.212 -2.267 . . . . 0.0 111.435 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.46 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.8 t -51.86 -50.08 61.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.122 0.487 . . . . 0.0 111.067 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -54.9 -44.58 74.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.36 -31.25 61.6 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.777 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.0 -29.07 14.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.169 -178.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -81.98 -12.41 58.36 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.709 0.63 . . . . 0.0 111.15 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -62.15 -61.19 2.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.708 0.766 . . . . 0.0 109.064 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -47.37 -23.48 0.59 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.883 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -90.99 103.38 16.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.663 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.568 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -68.02 174.39 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.612 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 17.0 t-80 63.5 -1.59 0.57 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.925 0.869 . . . . 0.0 108.719 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 21' ' ' GLU . 67.1 t -128.74 129.46 68.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.198 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' O ' ' OG ' ' A' ' 31' ' ' SER . 67.7 t0 -152.28 110.95 3.78 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.565 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.83 105.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.629 0.728 . . . . 0.0 112.96 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.4 ' H ' ' CB ' ' A' ' 31' ' ' SER . 62.2 tt0 -105.77 -11.08 16.4 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.493 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 11.5 t-20 -172.76 -173.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.32 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.502 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 50.6 m-85 -103.68 -13.2 16.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.063 0.459 . . . . 0.0 110.379 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -105.99 -71.15 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.806 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -59.94 -43.81 94.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.484 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 7.2 t -71.91 0.07 10.13 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.103 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.419 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 33.3 m95 -112.26 -6.2 14.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.817 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.8 m -63.74 0.02 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.31 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.9 m -96.37 -25.86 15.57 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.599 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.49 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 79.24 -14.8 13.77 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 108.922 -1.671 . . . . 0.0 108.922 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.478 ' H ' ' C ' ' A' ' 34' ' ' SER . 63.1 mmm -61.95 -28.98 69.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.538 -0.831 . . . . 0.0 110.071 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.44 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.684 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -56.98 -47.13 81.5 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.273 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.549 ' SG ' ' ND2' ' A' ' 63' ' ' ASN . 88.3 m -67.6 -44.81 77.17 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.55 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.761 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.5 tp -65.0 -42.12 94.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.05 0.452 . . . . 0.0 110.878 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.88 -44.36 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.588 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 34.9 t-80 -57.5 -14.33 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.977 0.418 . . . . 0.0 111.246 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -70.31 -39.99 74.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.507 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -102.81 -12.27 17.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.766 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 74' ' ' LEU . 97.0 m-85 -128.73 94.75 33.99 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.296 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.93 -36.69 2.46 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.809 1.672 . . . . 0.0 111.528 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.77 -14.2 60.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.36 -75.82 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.16 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.422 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 7.9 p90 -168.48 162.8 12.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.607 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -84.21 96.98 9.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 38.6 t80 -60.13 -21.29 61.4 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.93 -16.74 52.69 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.647 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -90.38 -17.51 27.14 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.608 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -80.07 152.15 29.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 111.266 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 1.9 p30 -122.56 162.64 37.17 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.333 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.27 -13.32 20.91 Favored 'Trans proline' 0 N--CA 1.49 1.275 0 C-N-CA 122.189 1.926 . . . . 0.0 110.01 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.47 77.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.342 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -92.25 56.16 2.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.329 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 20.3 ptp180 -67.62 -43.03 81.4 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 83.2 mtp180 -51.52 -46.67 63.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.262 0.553 . . . . 0.0 110.276 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -67.67 -33.33 74.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.598 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.549 ' ND2' ' SG ' ' A' ' 39' ' ' CYS . 6.5 t-20 -61.31 -42.69 99.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.184 0.516 . . . . 0.0 110.56 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.49 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 47.3 m-85 -68.89 -52.54 28.49 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.652 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.0 m -55.2 -43.31 74.29 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.47 -47.42 86.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.902 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.47 -39.0 82.27 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.972 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -80.7 -49.65 10.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.974 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.2 p -62.4 -30.79 71.46 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.6 m -78.08 -46.92 19.49 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.424 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.04 79.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 33.4 tp10 -70.52 -49.63 46.27 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.739 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -60.63 -39.83 89.69 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.476 -0.889 . . . . 0.0 110.894 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.8 mt -80.24 -45.99 17.03 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.68 5.96 10.0 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 78.8 m-20 48.17 34.34 4.32 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.958 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.457 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.7 t -48.82 -166.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.811 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.24 171.77 10.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.26 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -130.89 40.7 3.45 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.28 -25.25 66.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.598 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mt -112.97 142.93 45.1 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.17 0.509 . . . . 0.0 112.26 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -112.31 132.57 54.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.051 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 87' ' ' VAL . 87.9 t -49.29 -54.16 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.899 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -55.27 -46.42 76.15 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.375 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -58.93 -45.5 90.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.868 0.366 . . . . 0.0 110.369 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.0 mtp -62.55 -43.35 99.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.427 0.632 . . . . 0.0 109.859 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 83' ' ' VAL . 64.2 t -62.84 -46.84 95.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.07 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -71.0 -47.15 60.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.997 0.427 . . . . 0.0 111.421 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.51 -51.54 62.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.074 0.464 . . . . 0.0 110.392 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 58.65 26.69 14.83 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -177.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 90' ' ' ALA . 72.5 t -162.09 89.96 1.41 Allowed Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 113.784 -1.553 . . . . 0.0 109.534 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -72.5 -173.14 1.06 Allowed 'Trans proline' 0 N--CA 1.488 1.183 0 C-N-CA 121.975 1.783 . . . . 0.0 111.46 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.35 130.97 55.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.208 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.8 m -48.2 -34.36 9.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.035 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.45 ' O ' ' OG1' ' A' ' 99' ' ' THR . 63.5 pttt -77.79 -31.01 51.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.695 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.9 m -66.29 -53.7 33.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.643 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.06 -43.02 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 21.5 t80 -58.57 -50.86 72.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.839 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.4 m -58.52 -44.22 89.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.124 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -61.67 -51.41 68.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.503 0.668 . . . . 0.0 110.324 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.97 -37.71 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.011 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -55.19 -56.86 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.707 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -59.43 -46.27 89.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.714 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.95 -45.23 93.32 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -54.36 -48.66 71.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.51 0.671 . . . . 0.0 109.943 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -60.21 -42.68 95.68 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.976 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.7 t -58.95 -40.73 85.58 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.758 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.08 -40.76 96.9 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.987 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.39 -46.76 95.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.728 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -61.46 -49.91 74.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.67 -18.33 53.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.24 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.61 20.93 75.95 Favored Glycine 0 N--CA 1.464 0.563 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 mt -72.96 -44.77 60.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.368 -0.916 . . . . 0.0 111.171 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 CA--C 1.534 0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.278 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.045 0.45 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -58.87 -47.49 84.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.377 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.438 HD22 ' CG2' ' A' ' 101' ' ' ILE . 88.2 mt -65.37 -44.01 88.95 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.54 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.04 -46.94 88.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.525 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -56.72 -48.15 78.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.591 1.186 . . . . 0.0 110.129 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -64.01 -62.31 1.71 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 112.26 -2.245 . . . . 0.0 111.053 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -51.32 -45.8 62.37 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.8 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' O ' ' OG1' ' A' ' 17' ' ' THR . 61.4 ttt-85 -60.41 -45.49 93.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.67 0.748 . . . . 0.0 110.38 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.18 -25.99 4.16 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.279 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.5 mmt -88.77 -23.83 22.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.488 ' O ' ' O ' ' A' ' 20' ' ' TYR . 68.9 p -70.0 -15.17 62.98 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.39 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -64.82 -43.41 93.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 109.533 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.32 -37.32 87.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.072 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.518 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 79.7 m-85 -94.84 155.4 16.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.941 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 23' ' ' VAL . 99.7 mt-10 -118.64 173.29 6.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.717 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.634 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 37.5 t-80 63.21 6.81 2.51 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.442 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 79.6 t -122.87 125.38 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.855 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 78.8 m-20 -142.92 105.27 4.44 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.668 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.15 99.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.651 0.739 . . . . 0.0 112.833 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -97.72 -27.46 14.33 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.847 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.483 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 65.0 t30 -152.8 -170.88 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.483 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 44.7 m-85 -104.32 -8.77 19.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.006 0.432 . . . . 0.0 110.325 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 30' ' ' SER . 88.2 p -106.78 -70.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.806 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.415 ' N ' ' OG ' ' A' ' 29' ' ' SER . 11.8 t -61.55 -43.53 98.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.341 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.424 ' HB3' ' H ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -70.65 0.5 6.81 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.808 -178.598 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -114.25 -4.29 13.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.618 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.3 m -63.23 -6.04 4.0 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.234 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 36' ' ' MET . 23.9 m -93.29 -25.88 17.56 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.525 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 80.38 -15.49 17.86 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.881 -1.688 . . . . 0.0 108.881 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.591 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 27.2 mtt -61.84 -28.86 69.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.518 -0.841 . . . . 0.0 110.192 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.66 -50.26 58.72 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.647 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.62 -45.01 90.12 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.122 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 12.2 m -69.22 -46.95 66.13 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.0 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.518 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -62.79 -42.42 99.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.368 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.5 -43.86 96.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.935 0.398 . . . . 0.0 110.769 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 44' ' ' LYS . 2.9 mm -67.73 -43.47 86.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.793 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 43.7 t-80 -57.7 -5.64 0.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.288 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 42' ' ' ILE . 3.7 tmtt? -85.31 -35.9 21.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.349 0.595 . . . . 0.0 111.256 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -86.58 -36.4 18.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.876 -178.159 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -121.87 105.48 37.81 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.485 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.595 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -72.96 -34.49 6.44 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.929 1.753 . . . . 0.0 111.731 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -72.52 14.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.595 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -73.55 -76.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.559 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.506 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.5 p90 -168.73 162.39 11.62 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.784 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -83.24 97.91 9.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.63 -21.69 66.5 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.889 0.376 . . . . 0.0 110.995 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.54 -15.14 58.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.709 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -90.48 -11.79 39.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.4 mt -85.62 150.37 24.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.81 167.22 16.6 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.191 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -75.25 -6.56 18.04 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 122.236 1.957 . . . . 0.0 110.012 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.14 -46.19 52.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -94.23 60.96 2.81 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.423 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -67.78 -45.98 73.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -50.69 -51.9 45.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.257 0.551 . . . . 0.0 110.421 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -61.16 -34.15 74.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.763 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 26.7 t30 -62.09 -42.01 98.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.519 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 47.0 m-85 -69.05 -54.03 17.29 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.695 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.475 ' OG1' HG21 ' A' ' 83' ' ' VAL . 18.5 m -53.61 -42.55 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.405 HD21 ' CG ' ' A' ' 50' ' ' PHE . 64.5 tp -60.7 -48.4 81.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.066 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.65 82.24 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.136 -0.625 . . . . 0.0 109.883 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -79.08 -51.54 9.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 t -61.29 -28.16 68.99 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.011 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.9 m -78.15 -46.93 19.32 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.262 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.532 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -65.29 -34.57 78.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.99 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 92.1 mt-10 -71.19 -50.78 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.044 0.449 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -58.91 -39.44 81.54 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.791 -0.764 . . . . 0.0 110.759 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -79.4 -50.02 11.46 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.552 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -118.7 7.23 11.63 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -177.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.4 t70 47.76 37.48 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.022 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 8.4 m -49.28 -166.15 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.499 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.94 171.18 10.98 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.341 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -127.32 40.31 3.73 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.04 -27.0 67.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.687 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.9 mt -113.3 142.28 46.02 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.196 0.522 . . . . 0.0 112.356 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -113.05 134.31 54.58 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.983 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.475 HG21 ' OG1' ' A' ' 65' ' ' THR . 56.1 t -50.27 -54.23 9.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.811 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 20.0 p30 -53.49 -44.7 69.26 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.491 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.58 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 98.2 m-20 -62.42 -43.57 98.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.084 0.469 . . . . 0.0 110.176 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.506 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 5.8 mtp -60.22 -43.02 96.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.118 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.65 -45.75 98.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.117 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -72.91 -50.96 20.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.925 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.19 -58.17 9.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.306 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.03 26.51 15.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 91' ' ' VAL . 77.7 t -160.91 60.37 1.28 Allowed Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.795 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.485 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.6 Cg_endo -45.29 179.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.013 1.809 . . . . 0.0 111.332 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -114.27 129.8 56.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.312 0.577 . . . . 0.0 110.388 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -48.69 -32.96 9.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.897 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -77.08 -31.51 56.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.446 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.4 m -67.15 -54.79 18.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.53 -43.72 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -57.75 -51.43 69.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.322 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.9 m -57.92 -43.21 86.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.034 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -61.59 -49.78 75.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.436 0.636 . . . . 0.0 110.084 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.438 ' CG2' HD22 ' A' ' 9' ' ' LEU . 28.0 mm -62.16 -41.98 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.935 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -47.42 -68.07 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 104' ' ' LEU . 1.3 pp20? -56.75 -44.3 81.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.844 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.544 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 15.3 tp -60.8 -46.29 91.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.464 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -52.48 -47.36 66.59 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.56 0.695 . . . . 0.0 109.568 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -60.85 -40.15 91.77 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.017 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.9 m -59.83 -39.09 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.954 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.2 mt -69.45 -37.32 77.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.241 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.52 -47.8 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.765 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.401 ' H ' ' HG2' ' A' ' 110' ' ' GLN . 5.8 pt20 -65.7 -43.87 87.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -61.03 -25.41 66.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.311 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.61 19.19 58.74 Favored Glycine 0 N--CA 1.464 0.545 0 N-CA-C 109.791 -1.323 . . . . 0.0 109.791 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 113' ' ' LEU . 17.8 mt -76.25 -41.24 49.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.515 -0.843 . . . . 0.0 110.976 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.262 -178.78 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.2 t30 . . . . . 0 C--O 1.231 0.101 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.8 tpt -61.03 -46.2 91.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.441 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.41 HD22 ' CG2' ' A' ' 101' ' ' ILE . 87.4 mt -64.44 -42.93 95.72 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.513 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.83 -46.17 90.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.337 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -57.7 -49.81 75.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.675 1.226 . . . . 0.0 109.882 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -63.06 -64.75 0.82 Allowed 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 112.495 -2.139 . . . . 0.0 111.215 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.433 ' SG ' HD22 ' A' ' 41' ' ' LEU . 1.8 t -50.49 -48.85 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.031 0.443 . . . . 0.0 111.225 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.46 -49.53 76.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.344 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.62 -16.55 0.65 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.262 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.3 mtt -114.7 -1.37 13.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.84 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.13 -13.7 16.69 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.158 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' TYR . 52.9 ttt180 -59.99 -64.58 0.9 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.586 0.708 . . . . 0.0 109.388 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.547 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 2.9 p-10 -45.68 -24.34 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.62 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.407 ' N ' ' C ' ' A' ' 18' ' ' ARG . 39.6 m-85 -90.61 98.77 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.526 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.607 ' C ' ' H ' ' A' ' 23' ' ' VAL . 53.0 mp0 -68.87 176.99 2.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.591 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 23.0 t-80 61.45 -1.99 0.27 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.607 ' H ' ' C ' ' A' ' 21' ' ' GLU . 58.9 t -126.16 130.65 72.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.121 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -145.38 107.31 4.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.1 mt -86.96 87.66 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.553 0.692 . . . . 0.0 112.727 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -92.65 -22.39 19.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.107 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.477 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 12.5 t-20 -148.25 -176.13 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.836 -1.074 . . . . 0.0 108.105 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.477 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 58.1 m-85 -106.2 -11.89 15.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.884 0.373 . . . . 0.0 110.431 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -105.05 -72.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.643 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.9 p -61.87 -43.22 99.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.084 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 1.17 3.24 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.776 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.414 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 27.0 m95 -113.03 -2.25 14.26 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.418 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.9 t -63.35 -1.71 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.253 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 36' ' ' MET . 93.1 p -94.13 -25.68 17.04 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.08 -14.48 10.99 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -178.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.591 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 29.8 mtt -66.16 -27.98 68.43 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.567 -0.816 . . . . 0.0 110.274 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.94 -51.43 61.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.291 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -57.5 -36.92 72.15 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.933 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 86.2 m -78.16 -45.6 22.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.056 0.455 . . . . 0.0 111.449 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.81 97.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.663 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD22 ' SG ' ' A' ' 13' ' ' CYS . 66.9 tp -62.3 -44.74 95.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.801 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 44' ' ' LYS . 30.5 mm -66.11 -43.39 92.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.598 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 28.5 t-80 -53.92 -9.86 0.27 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.387 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 42' ' ' ILE . 4.6 tmtm? -84.74 -35.52 22.41 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.454 0.645 . . . . 0.0 111.238 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -84.43 -39.62 18.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.947 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CG ' HD13 ' A' ' 74' ' ' LEU . 16.3 m-85 -124.83 104.17 30.47 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.303 -178.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.524 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.4 Cg_exo -71.57 -30.67 14.61 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.902 1.735 . . . . 0.0 111.813 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.48 5.12 2.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -64.66 -74.07 0.11 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.835 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.408 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.8 p90 -168.84 162.5 11.43 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.658 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -83.54 95.14 8.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -58.39 -21.41 50.24 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.934 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.84 -17.65 43.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.306 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -85.49 -21.6 28.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.38 151.11 36.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.15 165.91 18.97 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.321 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.16 -13.49 21.07 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.285 1.99 . . . . 0.0 110.212 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.4 -42.54 78.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.433 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -89.45 69.45 7.98 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.97 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -74.54 -52.15 12.68 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.456 -0.497 . . . . 0.0 112.158 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -50.96 -47.4 61.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.266 0.555 . . . . 0.0 110.317 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -63.83 -33.8 76.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.102 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.511 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 42.1 t30 -61.95 -42.63 99.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 45.4 m-85 -69.74 -51.8 31.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.785 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -54.93 -42.09 71.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.3 tp -59.53 -49.01 79.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.012 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.65 79.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.071 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.81 -55.64 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.989 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -58.67 -29.6 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.428 HG22 HD12 ' A' ' 74' ' ' LEU . 92.9 m -75.83 -48.98 19.32 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.279 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.429 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -64.16 -29.65 70.75 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 64.2 mm-40 -70.97 -53.3 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.907 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.57 -37.27 80.75 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.495 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.432 HD13 ' CG ' ' A' ' 46' ' ' PHE . 96.9 mt -76.16 -51.43 12.16 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.33 11.08 8.05 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' GLU . 27.8 t70 46.4 38.85 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.957 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 63.9 m -50.03 -164.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.496 -178.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.74 171.48 10.39 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.333 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -132.76 41.95 3.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.159 0.504 . . . . 0.0 109.766 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.99 -23.43 66.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.434 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 mt -116.76 141.82 47.71 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.183 0.516 . . . . 0.0 112.099 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -109.93 133.37 53.25 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.362 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 87' ' ' VAL . 70.3 t -47.89 -52.71 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.506 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -55.89 -44.93 78.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.106 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.37 -44.33 97.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.942 0.401 . . . . 0.0 110.291 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.495 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 8.1 mtp -61.72 -42.69 99.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.482 0.658 . . . . 0.0 109.63 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 83' ' ' VAL . 70.5 t -65.08 -44.11 95.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.075 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -71.63 -47.88 51.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.585 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.91 -50.34 64.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.065 0.46 . . . . 0.0 110.624 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 60.08 28.04 17.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 90' ' ' ALA . 54.8 t -163.47 94.59 1.08 Allowed Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 113.902 -1.499 . . . . 0.0 109.405 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -72.04 178.31 6.1 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.741 1.627 . . . . 0.0 111.477 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.99 131.97 54.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.534 0.683 . . . . 0.0 110.279 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.8 p -50.57 -37.43 39.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.889 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -77.81 -29.67 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.468 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.2 m -66.46 -53.05 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.352 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.9 -44.75 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.4 t80 -58.55 -51.07 71.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.122 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.0 m -58.41 -43.59 88.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.271 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.09 -50.63 72.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.359 0.6 . . . . 0.0 110.225 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.41 ' CG2' HD22 ' A' ' 9' ' ' LEU . 26.6 mm -61.18 -40.69 86.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.155 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -51.25 -61.77 2.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.777 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.68 -46.24 89.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.801 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.436 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 39.6 tp -60.33 -46.0 91.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.657 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -52.29 -46.22 65.83 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.633 0.73 . . . . 0.0 109.472 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -62.74 -37.86 88.26 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.019 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.9 m -60.0 -38.54 82.92 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.836 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.8 mt -70.52 -38.25 74.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.56 -48.64 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.75 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 111' ' ' LYS . 15.3 pt20 -63.38 -41.8 98.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 1.4 tppp? -60.5 -27.83 67.89 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.74 17.04 60.56 Favored Glycine 0 N--CA 1.462 0.424 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.84 -55.96 5.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.446 -0.877 . . . . 0.0 111.007 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.527 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.951 0.405 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.0 tpt -57.19 -49.4 76.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.287 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 98' ' ' TYR . 87.0 mt -64.98 -44.11 90.4 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.18 0.515 . . . . 0.0 110.644 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.09 -46.9 88.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.548 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.75 -53.7 54.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.532 1.158 . . . . 0.0 109.776 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -54.2 -60.33 3.48 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.384 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' THR . 6.3 t -54.17 -47.09 72.38 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.956 0.407 . . . . 0.0 110.792 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -59.15 -46.87 87.23 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.483 0.659 . . . . 0.0 110.654 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 -23.94 50.01 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.457 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.5 mtm -119.07 -4.38 10.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.155 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' CYS . 97.0 m -107.2 -11.04 15.69 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.516 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.415 ' C ' ' N ' ' A' ' 20' ' ' TYR . 62.0 ttm-85 -70.45 -48.91 53.67 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.466 0.65 . . . . 0.0 109.281 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -47.54 -22.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.773 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.449 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 27.5 m-85 -88.88 107.68 19.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.957 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.542 ' C ' ' H ' ' A' ' 23' ' ' VAL . 47.2 mp0 -68.97 172.09 7.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.553 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.565 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 23.5 t-80 63.52 -0.98 0.63 Allowed 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.542 ' H ' ' C ' ' A' ' 21' ' ' GLU . 57.4 t -128.94 129.68 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.947 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 30.4 p-10 -148.56 110.37 4.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.487 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.97 103.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.549 0.69 . . . . 0.0 112.762 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.578 ' H ' ' CB ' ' A' ' 31' ' ' SER . 57.5 tt0 -104.08 -14.68 15.81 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.937 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 58.9 t30 -175.45 -169.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.344 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.417 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 57.4 m-85 -101.3 -11.21 19.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.022 0.439 . . . . 0.0 110.439 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.4 m -108.48 -68.33 0.92 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.378 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -60.06 -44.73 94.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.072 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.578 ' CB ' ' H ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -71.71 0.84 7.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.775 -178.849 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.417 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 34.9 m95 -115.49 -7.69 12.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.629 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -56.61 -24.75 50.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.411 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.2 m -76.35 -22.91 54.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.537 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.17 -11.43 23.1 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 108.712 -1.755 . . . . 0.0 108.712 -178.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.48 ' H ' ' C ' ' A' ' 34' ' ' SER . 57.8 mmm -63.56 -29.8 71.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.491 -0.855 . . . . 0.0 110.193 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.51 -53.2 58.35 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.837 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.39 -45.65 84.26 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.109 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 7.0 m -65.57 -46.35 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.165 0.507 . . . . 0.0 111.113 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.09 98.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.319 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD13 ' SG ' ' A' ' 13' ' ' CYS . 56.0 tp -62.7 -44.4 96.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.6 mm -66.25 -43.95 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.529 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.449 ' CG ' ' HH ' ' A' ' 20' ' ' TYR . 28.1 t-80 -56.16 -12.43 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.461 . . . . 0.0 111.267 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -79.17 -38.64 35.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.689 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -83.26 -37.92 22.87 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.429 ' CG ' HD13 ' A' ' 74' ' ' LEU . 13.4 m-85 -123.42 106.76 32.58 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.471 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -71.84 -29.34 15.55 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 121.912 1.741 . . . . 0.0 111.943 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -68.04 -16.07 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.69 -77.67 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.167 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -169.68 162.96 9.95 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.54 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -83.0 95.14 7.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.052 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 26.9 t80 -61.04 -20.71 62.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.29 -17.62 51.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.583 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -87.55 -14.52 39.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.589 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.9 mt -81.14 149.83 28.97 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.221 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 58' ' ' ALA . 71.9 m-20 -124.78 145.78 50.86 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.23 -11.43 1.08 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.91 1.74 . . . . 0.0 110.161 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.461 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.92 -43.45 68.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.012 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.06 75.97 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.137 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -83.14 -49.57 9.35 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -51.11 -45.57 61.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.245 0.545 . . . . 0.0 110.107 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.36 -34.72 77.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.643 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 29.0 t30 -61.2 -42.22 98.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.799 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.503 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 54.9 m-85 -69.45 -54.02 16.36 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.816 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.477 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.6 m -56.01 -42.62 76.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HA ' ' HG ' ' A' ' 69' ' ' SER . 50.8 tp -61.47 -47.65 84.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.847 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.409 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.06 -37.14 78.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.266 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -82.48 -48.79 10.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.779 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.406 ' HG ' ' HA ' ' A' ' 66' ' ' LEU . 87.9 p -63.31 -31.08 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.704 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -76.33 -50.27 14.71 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.44 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.449 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -65.23 -31.66 72.93 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.557 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 79.5 tt0 -69.96 -50.27 43.52 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.773 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -62.83 -35.99 81.72 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.4 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.429 HD13 ' CG ' ' A' ' 46' ' ' PHE . 99.0 mt -76.81 -47.3 21.89 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.454 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.01 9.2 8.09 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 97.1 m-20 47.03 37.63 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.939 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.5 m -49.38 -164.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.615 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.03 169.02 13.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.493 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.76 37.4 3.96 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.065 0.459 . . . . 0.0 110.055 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.54 -21.84 64.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.49 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -110.59 142.62 42.17 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.11 0.481 . . . . 0.0 112.002 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -114.45 131.99 56.42 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.377 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.477 HG21 ' OG1' ' A' ' 65' ' ' THR . 65.2 t -48.93 -54.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.686 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -54.39 -45.97 73.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.445 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.35 -44.89 95.12 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.503 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 12.8 mtp -62.72 -44.2 96.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.476 0.655 . . . . 0.0 109.753 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.2 t -69.03 -42.34 82.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.077 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -71.46 -47.04 58.23 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 77.4 mt -64.54 -51.41 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.459 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 66.48 21.24 10.83 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 90' ' ' ALA . 53.9 t -162.93 92.59 1.2 Allowed Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 113.707 -1.588 . . . . 0.0 109.445 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -71.95 179.91 4.44 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 C-N-CA 121.783 1.655 . . . . 0.0 111.404 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -113.19 128.77 56.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.194 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.9 m -49.37 -33.95 14.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.023 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.436 ' O ' HG22 ' A' ' 99' ' ' THR . 55.4 tttp -72.81 -36.34 67.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 30.0 m -67.02 -42.51 84.78 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.388 0.614 . . . . 0.0 110.383 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.19 -44.82 80.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 23.7 t80 -60.7 -52.79 63.61 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.661 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 100' ' ' TYR . 15.0 t -61.62 -40.57 95.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.914 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.466 ' N ' HG23 ' A' ' 99' ' ' THR . 58.9 t80 -62.78 -51.66 66.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.189 0.519 . . . . 0.0 110.158 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 105' ' ' TYR . 24.0 mm -59.48 -36.72 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.307 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -54.41 -57.84 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.426 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.15 -46.61 87.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.592 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.37 -44.21 97.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' ILE . 89.3 t80 -53.74 -48.76 69.34 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.785 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -59.0 -43.62 91.52 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.834 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.8 m -57.28 -37.69 72.78 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.932 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.31 -40.11 81.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.16 -48.48 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.012 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -64.34 -43.53 94.32 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.533 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -60.02 -27.09 66.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.228 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.46 17.58 60.18 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.1 mt -75.19 -45.6 39.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.952 -0.624 . . . . 0.0 111.043 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.465 0.299 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.442 -179.459 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.109 0.48 . . . . 0.0 110.049 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -59.95 -49.45 77.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.36 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.444 HD22 ' CG2' ' A' ' 101' ' ' ILE . 91.7 mt -66.84 -40.91 88.1 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.571 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.92 -48.38 80.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.633 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.02 -49.85 72.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.689 1.233 . . . . 0.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -60.15 -60.04 4.45 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.261 -2.245 . . . . 0.0 111.443 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.8 m -52.48 -46.43 66.57 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.967 0.413 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -60.93 -46.74 89.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.359 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.25 -16.06 0.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.248 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.08 -1.88 12.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.098 -177.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -89.77 -13.6 36.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.187 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -67.24 -37.31 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.782 0.801 . . . . 0.0 110.183 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.26 -37.32 85.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.459 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.458 ' OH ' ' C ' ' A' ' 43' ' ' HIS . 96.1 m-85 -93.68 156.09 16.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.234 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 23' ' ' VAL . 96.8 mt-10 -119.34 172.75 7.39 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.652 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.621 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 31.9 t-80 62.82 3.98 1.33 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.496 ' H ' ' C ' ' A' ' 21' ' ' GLU . 69.4 t -123.55 126.33 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.095 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -141.88 108.1 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.796 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -86.52 88.27 2.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.491 0.662 . . . . 0.0 112.389 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -94.58 -24.48 17.21 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.927 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -148.49 -173.73 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.261 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.439 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 67.2 m-85 -107.33 -11.63 15.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 0.0 110.581 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 p -104.85 -73.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -60.77 -44.12 97.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.504 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.4 m -69.43 1.43 3.95 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.008 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.439 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 30.3 m95 -114.43 -3.71 13.0 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.708 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 t -62.27 -5.67 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.275 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 36' ' ' MET . 2.4 m -93.18 -26.13 17.53 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 79.65 -14.94 15.75 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -177.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.472 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.8 mmm -61.83 -25.92 67.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.506 -0.847 . . . . 0.0 110.313 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.14 -50.14 50.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.914 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -57.65 -46.25 84.43 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.21 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.524 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 2.4 m -69.43 -45.48 69.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.13 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.48 98.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.168 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.73 -44.63 95.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.873 0.368 . . . . 0.0 110.587 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 42' ' ' ILE . 8.7 mm -66.87 -44.5 88.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 59.9 t-80 -54.03 -10.56 0.35 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.028 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 42' ' ' ILE . 7.1 tmtm? -81.74 -35.98 29.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.927 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.98 -23.03 17.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.555 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CD1' HD13 ' A' ' 74' ' ' LEU . 99.5 m-85 -125.29 99.5 33.73 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.449 -178.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.06 -39.69 1.11 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.842 1.695 . . . . 0.0 111.695 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -62.76 -13.99 39.43 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.8 -75.17 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 114.355 -1.293 . . . . 0.0 112.243 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 6.9 p90 -170.24 166.13 8.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.715 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -84.79 96.37 9.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -61.56 -21.73 64.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.868 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.51 -13.16 59.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.448 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -89.53 -19.71 24.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 120.947 0.403 . . . . 0.0 110.485 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.2 mt -79.41 150.8 31.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.12 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' ALA . 1.4 m-20 -124.69 145.44 49.57 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.109 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -50.61 -11.22 0.35 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.194 1.929 . . . . 0.0 109.904 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -80.77 -8.45 59.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.029 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -114.22 53.52 0.79 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.136 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -69.53 -49.79 51.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.529 ' NH2' ' CE1' ' A' ' 62' ' ' HIS . 69.1 ttp85 -54.98 -46.69 75.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.291 0.567 . . . . 0.0 110.238 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.529 ' CE1' ' NH2' ' A' ' 61' ' ' ARG . 30.1 m80 -66.26 -34.6 78.37 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.278 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.524 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 26.2 t-20 -63.48 -41.61 98.58 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.375 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 50.1 m-85 -68.67 -54.98 13.02 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.867 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.464 ' OG1' HG21 ' A' ' 83' ' ' VAL . 10.6 m -56.05 -44.2 78.61 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.83 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.417 HD21 ' CG ' ' A' ' 50' ' ' PHE . 51.8 tp -59.82 -48.29 82.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.222 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.87 79.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.028 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 44.9 m-85 -80.55 -51.39 8.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -61.36 -30.72 70.7 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.0 m -76.07 -50.01 15.91 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.468 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -30.83 71.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 76' ' ' ASP . 84.4 tt0 -70.91 -52.18 21.6 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.604 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.97 -38.91 87.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.669 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.449 HD13 ' CD1' ' A' ' 46' ' ' PHE . 91.2 mt -79.63 -45.58 18.83 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' CG ' ' A' ' 76' ' ' ASP . . . -123.9 5.89 8.69 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 72' ' ' GLU . 3.7 p-10 44.3 41.87 4.76 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.114 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.4 p -58.21 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.52 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.76 170.87 12.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.199 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -133.37 41.14 3.11 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 109.989 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.44 -23.16 66.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.498 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -115.03 143.59 44.94 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 121.272 0.558 . . . . 0.0 112.252 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 97.3 mt-10 -112.91 143.16 44.65 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.298 178.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.464 HG21 ' OG1' ' A' ' 65' ' ' THR . 80.6 t -58.12 -51.96 64.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.366 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -53.99 -45.39 71.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.435 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.4 OUTLIER -65.5 -42.92 91.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.078 0.466 . . . . 0.0 110.384 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.566 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.2 mtp -62.24 -44.59 96.22 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.397 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.25 -41.95 81.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.7 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -71.25 -48.5 50.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.811 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.9 -51.71 60.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 0.0 110.25 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 61.72 24.52 14.61 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 90' ' ' ALA . 74.3 t -162.08 89.19 1.44 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.581 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.14 -175.14 1.82 Allowed 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.925 1.75 . . . . 0.0 111.255 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -119.15 129.63 55.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.237 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.0 t -47.66 -31.94 5.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.967 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -75.43 -34.78 61.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.374 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -66.75 -54.02 27.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.115 0.483 . . . . 0.0 110.968 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.52 -43.87 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -58.28 -50.79 72.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.224 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.1 m -58.44 -41.7 85.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.119 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -62.15 -51.37 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.442 0.639 . . . . 0.0 110.316 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' TYR . 29.4 mm -61.42 -41.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.084 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -50.41 -62.03 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.653 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.88 -46.23 89.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.751 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.41 -45.21 94.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.742 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 101' ' ' ILE . 79.8 t80 -53.64 -47.44 70.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.535 0.684 . . . . 0.0 109.367 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -61.83 -37.71 85.46 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.974 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.3 t -60.63 -41.52 95.02 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.688 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 26.8 mt -68.04 -37.81 81.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.99 0.424 . . . . 0.0 111.235 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.43 -48.4 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -65.49 -41.33 93.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -61.94 -28.18 69.35 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.278 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.44 16.18 59.17 Favored Glycine 0 N--CA 1.463 0.49 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.5 mt -72.96 -43.59 62.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.442 -0.879 . . . . 0.0 110.923 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.277 -179.247 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 121.133 0.492 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.7 tpt -59.68 -49.16 78.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.481 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.42 -44.52 94.37 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.052 0.453 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.57 -47.19 86.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.44 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.83 -53.64 55.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 122.597 1.189 . . . . 0.0 109.953 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -53.83 -61.29 2.4 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 112.661 -2.063 . . . . 0.0 111.462 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 m -53.13 -44.59 67.82 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.968 0.413 . . . . 0.0 110.896 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' MET . 58.6 ttp180 -60.65 -56.25 23.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.674 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.44 -15.08 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.415 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 14' ' ' ARG . 54.0 mtm -120.27 -4.18 9.97 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -95.38 -12.85 25.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -66.15 -47.15 75.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.646 0.736 . . . . 0.0 109.435 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -49.39 -28.57 5.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.683 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -93.65 153.81 18.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 23' ' ' VAL . 95.8 mt-10 -114.6 172.23 7.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.95 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.604 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 50.7 t-80 60.83 6.47 1.19 Allowed 'General case' 0 C--N 1.334 -0.072 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 21' ' ' GLU . 70.1 t -121.92 127.7 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.336 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' O ' ' OG ' ' A' ' 31' ' ' SER . 25.0 t0 -140.88 104.09 4.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.482 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.9 mt -88.36 79.28 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.397 0.618 . . . . 0.0 112.513 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -99.73 -8.83 23.77 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.796 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -157.01 174.11 16.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.508 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.446 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 73.7 m-85 -101.92 -10.13 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.99 0.424 . . . . 0.0 110.48 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -102.86 -73.11 0.67 Allowed 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 p -58.04 -42.76 86.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 43.4 m -72.42 1.97 7.02 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.189 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 38.1 m95 -116.19 -10.52 11.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.663 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -58.41 -18.46 28.38 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.474 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 36' ' ' MET . 5.4 m -88.01 -21.44 24.8 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.54 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.413 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.8 -10.7 23.87 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 108.951 -1.66 . . . . 0.0 108.951 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.455 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.9 mmm -60.08 -28.17 67.6 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.778 -0.711 . . . . 0.0 110.074 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.57 -49.12 51.22 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.683 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.13 -46.8 85.0 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.069 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 8.1 m -69.03 -45.5 70.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.402 . . . . 0.0 111.011 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.17 98.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.406 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.95 -44.38 96.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.875 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.406 ' C ' ' H ' ' A' ' 44' ' ' LYS . 5.9 mm -66.54 -44.43 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.753 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 26.6 t-80 -54.65 -10.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.298 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 42' ' ' ILE . 35.1 tptt -80.52 -36.16 33.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.608 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -96.84 -20.78 17.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.859 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.422 ' CD1' HD13 ' A' ' 74' ' ' LEU . 98.9 m-85 -126.41 99.82 30.0 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.47 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -74.59 -35.26 3.7 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.912 1.741 . . . . 0.0 111.862 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -70.44 -2.48 13.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.27 -75.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.189 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.4 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.2 p90 -170.73 164.11 8.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.637 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -85.99 96.51 9.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -60.75 -21.83 63.4 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.58 -12.87 59.45 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.472 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -95.0 -16.26 22.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.926 0.393 . . . . 0.0 110.613 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.7 mt -80.18 155.64 27.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.138 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.96 162.42 37.19 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.507 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -73.5 -16.59 24.23 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.062 1.842 . . . . 0.0 110.328 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.61 74.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.439 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -84.69 52.34 2.37 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.059 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -65.42 -43.04 91.78 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HG2' HG21 ' A' ' 87' ' ' VAL . 82.2 mtp180 -53.14 -47.36 68.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.221 0.534 . . . . 0.0 110.29 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -67.13 -35.48 79.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.788 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.514 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 20.4 t-20 -62.13 -43.29 99.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.641 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 46.9 m-85 -67.43 -55.38 13.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.781 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.474 ' OG1' HG21 ' A' ' 83' ' ' VAL . 15.1 m -54.83 -42.74 72.28 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.59 -48.92 79.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.339 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.4 77.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.187 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 48.1 m-85 -79.86 -49.73 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.4 m -62.12 -30.26 70.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.9 m -77.42 -45.69 25.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.613 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -64.91 -35.26 80.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' ASP . 40.5 tt0 -71.1 -49.73 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.897 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.29 -40.8 97.48 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.916 -0.713 . . . . 0.0 110.925 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.422 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.5 mt -86.99 -33.09 19.72 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -125.85 0.01 7.33 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 72' ' ' GLU . 68.3 m-20 46.73 37.03 4.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.813 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' ASP . 30.1 p -49.43 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.621 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.43 171.89 9.41 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.38 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -126.25 67.85 1.21 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -103.73 -22.41 13.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.434 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.28 139.52 46.61 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.225 0.536 . . . . 0.0 112.175 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -113.83 128.25 56.33 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.231 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 87' ' ' VAL . 77.4 t -46.69 -53.41 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.6 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -54.25 -45.26 72.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.265 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.71 -43.23 99.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.308 0.575 . . . . 0.0 110.112 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.579 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 12.5 mtp -63.23 -43.03 99.2 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.371 0.605 . . . . 0.0 110.01 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 83' ' ' VAL . 55.4 t -61.38 -51.91 67.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.951 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.519 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 13.0 ptm180 -69.94 -45.65 67.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.891 0.377 . . . . 0.0 111.288 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.519 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 35.6 mt -53.13 -63.22 1.22 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.149 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 89' ' ' LEU . . . 68.16 17.96 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 91' ' ' VAL . 69.8 t -159.64 60.61 1.56 Allowed Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.671 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.456 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.9 Cg_endo -43.98 174.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.042 1.828 . . . . 0.0 111.483 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 92.1 m-20 -106.41 125.81 51.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.945 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.8 p -53.12 -33.86 54.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.36 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -68.62 -43.59 76.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.596 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 1.8 p -62.56 -44.9 95.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.344 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.591 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 97.3 t -61.38 -45.85 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 15.0 t80 -60.6 -50.78 72.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.134 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.2 m -58.9 -42.92 90.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.623 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -62.02 -50.24 72.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.421 0.629 . . . . 0.0 110.158 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.9 mm -61.63 -40.44 86.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -53.51 -58.68 6.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -58.72 -42.97 89.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.869 0.842 . . . . 0.0 109.957 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.94 -39.79 87.4 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.927 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 101' ' ' ILE . 78.3 t80 -56.45 -51.37 68.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 107' ' ' SER . 16.6 ptm180 -63.84 -36.24 83.25 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.956 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 19.3 m -60.97 -37.7 83.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.65 -37.97 80.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.651 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.76 -48.26 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 111' ' ' LYS . 11.8 pt20 -61.8 -44.99 95.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 60.0 mttp -60.19 -25.25 65.43 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.225 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.06 16.72 62.46 Favored Glycine 0 N--CA 1.465 0.573 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.57 -45.86 50.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.773 -0.714 . . . . 0.0 110.998 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.019 -179.196 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 8' ' ' MET . 18.7 p30 . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.874 0.368 . . . . 0.0 110.173 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.509 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 0.9 OUTLIER -59.0 -48.28 82.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.319 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.44 -44.35 91.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.701 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.38 -46.82 88.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.347 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -58.99 -53.67 55.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.641 1.21 . . . . 0.0 110.087 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.11 -61.49 2.28 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 112.62 -2.082 . . . . 0.0 110.789 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.2 t -52.45 -44.05 65.28 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.051 0.453 . . . . 0.0 110.72 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.74 -44.13 97.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.376 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.19 -22.52 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.952 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mtt -105.91 -9.68 17.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.551 ' OG1' HD12 ' A' ' 25' ' ' ILE . 25.2 m -79.49 -15.32 57.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.06 0.457 . . . . 0.0 111.46 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -64.8 -41.01 96.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.43 0.633 . . . . 0.0 109.733 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.01 -36.51 84.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.441 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.52 ' OH ' ' N ' ' A' ' 44' ' ' LYS . 70.3 m-85 -92.62 150.2 20.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.008 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 23' ' ' VAL . 12.7 pt-20 -118.99 176.8 5.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.356 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.6 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 53.9 t-80 63.52 5.4 2.11 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-O 121.795 0.807 . . . . 0.0 108.832 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.434 ' H ' ' C ' ' A' ' 21' ' ' GLU . 78.8 t -123.8 129.21 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.885 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -137.08 104.98 5.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.722 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.551 HD12 ' OG1' ' A' ' 17' ' ' THR . 93.5 mt -80.54 91.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 112.673 -178.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -99.95 -25.13 14.43 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.762 -1.108 . . . . 0.0 108.798 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.819 HD21 ' H ' ' A' ' 30' ' ' SER . 52.5 p-10 -156.56 -172.75 4.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.336 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.483 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 54.1 m-85 -103.2 -8.32 20.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.058 0.456 . . . . 0.0 110.592 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -102.75 -74.99 0.62 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.819 ' H ' HD21 ' A' ' 27' ' ' ASN . 7.1 t -60.9 -42.27 97.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.498 -178.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.9 m -70.73 -1.43 11.43 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.195 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.483 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.0 m95 -112.6 -5.92 13.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.739 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 t -61.21 -5.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.533 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 36' ' ' MET . 91.6 p -93.16 -24.06 18.36 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.62 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.96 -12.32 24.37 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.46 ' H ' ' C ' ' A' ' 34' ' ' SER . 33.1 mmm -62.8 -31.1 72.02 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.807 -0.697 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -52.68 61.72 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.827 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -57.79 -45.35 86.18 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.13 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 11.1 m -65.81 -47.57 74.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.991 0.424 . . . . 0.0 111.282 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -63.06 -42.19 99.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.414 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.09 -44.19 96.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.021 0.438 . . . . 0.0 110.979 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.8 mm -66.2 -42.91 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.74 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -54.11 -48.18 71.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.831 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.52 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 6.1 tmtt? -45.27 -34.08 2.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.658 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.8 m-85 -94.15 -28.92 15.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.863 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.44 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.5 m-85 -121.9 99.93 43.75 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.354 -178.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.554 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_endo -75.25 -38.69 1.38 Allowed 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.971 1.781 . . . . 0.0 111.904 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -72.2 11.44 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.542 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.554 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -75.41 -71.65 0.35 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.788 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -169.97 163.13 9.42 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.598 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -85.65 96.67 9.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -58.15 -22.43 51.13 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.954 0.407 . . . . 0.0 110.921 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.47 -16.83 53.39 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -88.43 -15.84 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.3 mt -82.98 154.39 24.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.181 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -126.14 161.47 51.63 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.463 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -74.34 -9.88 21.98 Favored 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 122.019 1.813 . . . . 0.0 110.005 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.29 76.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.598 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -95.2 71.82 3.3 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.87 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.59 -46.51 59.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.092 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -50.78 -56.96 9.65 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.325 0.584 . . . . 0.0 110.965 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -57.92 -35.71 71.46 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.542 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 t-20 -62.37 -42.67 99.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.549 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 50.6 m-85 -69.83 -52.1 27.93 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.6 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -56.61 -44.32 81.02 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.77 -46.28 91.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.182 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -62.41 -38.76 90.92 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.267 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -81.01 -51.65 8.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.111 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.8 m -60.39 -27.86 67.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.693 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.454 HG22 HD12 ' A' ' 74' ' ' LEU . 97.3 m -78.78 -47.64 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.447 178.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.49 75.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.76 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' ASP . 82.1 tt0 -73.36 -50.18 23.31 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.783 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.22 -40.96 91.99 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.632 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.454 HD12 HG22 ' A' ' 70' ' ' THR . 93.9 mt -79.31 -43.27 23.95 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 76' ' ' ASP . . . -125.05 6.65 7.93 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 72' ' ' GLU . 4.1 p-10 41.92 46.79 3.59 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.452 0.644 . . . . 0.0 109.998 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.8 t -58.5 -163.3 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.474 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.74 167.87 17.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.326 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -125.14 63.05 1.16 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -96.61 -22.94 16.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.669 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.1 mt -114.93 137.31 52.14 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.2 0.524 . . . . 0.0 112.171 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.64 139.18 47.3 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.962 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 87' ' ' VAL . 72.9 t -58.18 -51.61 68.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.629 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.71 -44.77 73.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.009 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.02 -42.69 97.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.411 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.8 mtp -62.39 -42.52 99.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.332 0.587 . . . . 0.0 109.45 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' VAL . 69.5 t -64.8 -44.87 96.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.949 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -72.6 -47.64 46.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.863 0.363 . . . . 0.0 111.737 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 54.6 mt -56.6 -60.12 4.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.228 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 66.17 19.36 11.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 90' ' ' ALA . 73.9 t -161.91 88.19 1.5 Allowed Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 113.692 -1.594 . . . . 0.0 109.358 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -72.73 -174.36 1.47 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 121.879 1.719 . . . . 0.0 111.444 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.495 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 57.4 t0 -123.69 130.48 52.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.6 p -48.81 -31.48 7.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.081 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -71.12 -40.77 71.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.731 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 4.0 p -66.09 -47.76 73.15 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.73 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.629 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 84.1 t -64.37 -44.14 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 26.4 t80 -59.67 -51.0 71.68 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.173 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.5 m -57.85 -44.31 86.46 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.94 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -62.05 -49.85 74.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.293 0.568 . . . . 0.0 110.035 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.5 mm -60.86 -41.43 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.896 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -51.43 -61.54 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.61 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.64 -45.57 89.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.628 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.5 -44.33 96.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.383 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 81.2 t80 -53.74 -48.74 69.38 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.733 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -59.94 -43.57 94.89 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.085 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.5 p -60.11 -37.45 80.03 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.986 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.14 -39.68 82.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.11 -49.72 82.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -62.12 -45.67 92.43 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -58.5 -27.85 64.85 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.274 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.81 17.29 58.38 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.4 mt -73.85 -44.3 55.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.784 -0.708 . . . . 0.0 111.044 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.122 -179.121 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.0 t30 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 tpt -58.48 -51.0 71.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.545 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 ' CE2' ' A' ' 98' ' ' TYR . 88.7 mt -64.71 -43.37 93.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.465 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.93 -47.48 84.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.451 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.04 -50.88 71.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.671 1.224 . . . . 0.0 109.716 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.436 ' O ' ' CE ' ' A' ' 16' ' ' MET . 82.2 t90 -59.39 -60.94 3.05 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.478 -2.146 . . . . 0.0 111.266 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.2 m -51.71 -44.56 63.22 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.127 0.489 . . . . 0.0 110.79 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 16' ' ' MET . 77.0 ttt-85 -63.03 -49.67 73.68 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.28 -12.72 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.428 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' ARG . 1.9 mpp? -110.97 -17.38 13.31 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.606 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' ARG . 48.2 m -70.09 -15.78 63.03 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.299 0.375 . . . . 0.0 111.482 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -65.96 -36.16 82.58 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.582 0.706 . . . . 0.0 109.932 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -67.23 -38.75 85.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.643 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -95.53 155.37 16.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.84 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 23' ' ' VAL . 98.0 mt-10 -119.16 174.51 6.29 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.611 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 51.0 t-80 60.99 6.35 1.21 Allowed 'General case' 0 C--O 1.227 -0.108 0 CA-C-O 122.082 0.944 . . . . 0.0 108.577 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.48 ' H ' ' C ' ' A' ' 21' ' ' GLU . 74.8 t -122.66 127.39 74.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.862 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 31' ' ' SER . 70.2 m-20 -136.57 105.75 6.01 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.194 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CD1' ' OG1' ' A' ' 17' ' ' THR . 45.1 mt -85.64 83.65 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 121.43 0.633 . . . . 0.0 111.956 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -99.1 -21.69 16.05 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.077 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 31' ' ' SER . 4.8 p30 -148.98 179.56 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.289 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.411 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 64.1 m-85 -104.37 -9.05 18.77 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.146 0.498 . . . . 0.0 110.405 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 30' ' ' SER . 93.0 p -102.55 -72.99 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.839 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.452 ' N ' ' OG ' ' A' ' 29' ' ' SER . 67.4 m -59.54 -42.26 91.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.498 -178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 16.8 t -71.51 2.39 5.13 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.17 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.411 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 34.6 m95 -116.99 -7.67 11.33 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.656 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -56.54 -31.58 64.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.465 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.1 m -72.51 -22.85 60.98 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.0 -11.42 21.99 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.577 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 60.1 mtp -62.46 -27.19 68.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.424 -0.888 . . . . 0.0 110.071 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.8 -50.0 53.91 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.482 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.93 -46.3 88.3 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.105 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 3.8 m -65.57 -47.12 76.87 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.013 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.52 98.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.363 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.39 -43.12 98.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.046 0.451 . . . . 0.0 110.89 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 mm -65.99 -39.99 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.573 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -57.26 -42.28 81.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -49.15 -36.68 19.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.135 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -93.73 -29.57 15.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.085 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CD1' HD13 ' A' ' 74' ' ' LEU . 99.1 m-85 -120.93 100.51 46.04 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.92 -40.92 0.77 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.876 1.718 . . . . 0.0 111.707 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -63.11 -11.12 17.75 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.16 -75.64 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.076 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -169.07 163.47 11.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.64 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -83.64 95.3 8.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -60.93 -19.46 60.69 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.071 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.54 -13.69 57.77 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.566 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -95.42 -15.21 23.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.645 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.6 mt -81.84 153.03 26.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.949 0.404 . . . . 0.0 111.003 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -123.41 165.58 22.21 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.326 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -74.37 -12.16 22.86 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.301 2.001 . . . . 0.0 110.042 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.39 80.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -86.44 60.18 6.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -69.84 -51.17 35.74 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -52.02 -49.29 63.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.307 0.575 . . . . 0.0 110.196 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -64.77 -33.42 75.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.509 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 20.9 t-20 -62.15 -41.27 98.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.671 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 26.6 m-85 -69.49 -53.58 18.44 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.742 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.465 ' OG1' HG21 ' A' ' 83' ' ' VAL . 18.5 m -53.88 -41.5 67.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.39 -50.01 75.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.058 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.02 -36.06 72.16 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.962 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -82.56 -52.84 6.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.272 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 m -59.74 -31.41 69.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.035 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -76.97 -50.89 12.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.235 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.35 71.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.817 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 76' ' ' ASP . 65.0 mm-40 -71.2 -50.98 27.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.698 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.38 -38.79 88.29 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.68 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 46' ' ' PHE . 96.4 mt -79.8 -42.98 23.28 Favored 'General case' 0 CA--C 1.53 0.212 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.475 ' O ' ' CG ' ' A' ' 76' ' ' ASP . . . -127.36 6.29 6.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 72' ' ' GLU . 3.1 p30 43.19 42.81 3.65 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.339 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.4 p -57.31 -162.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.402 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.32 169.56 13.61 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.235 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -129.13 43.24 3.18 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.08 -24.86 64.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.392 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mt -112.87 140.12 47.93 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.126 0.488 . . . . 0.0 112.207 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 80.8 mm-40 -114.56 126.81 55.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.378 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.465 HG21 ' OG1' ' A' ' 65' ' ' THR . 89.6 t -43.66 -51.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.283 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -52.73 -45.56 67.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.38 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -68.51 -40.71 80.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.088 0.47 . . . . 0.0 110.311 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 8.6 mtp -61.7 -45.43 94.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.716 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.9 -42.71 85.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.933 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -70.85 -47.61 58.39 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -64.44 -51.44 63.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.273 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 62.57 25.31 15.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 90' ' ' ALA . 53.9 t -163.91 92.17 1.08 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.703 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -72.68 -175.02 1.66 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.887 1.725 . . . . 0.0 111.393 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -120.91 131.14 54.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.24 0.543 . . . . 0.0 110.362 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.5 p -48.41 -32.28 7.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.037 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -77.68 -32.42 53.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.486 179.298 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.5 m -67.01 -52.69 39.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.063 0.459 . . . . 0.0 110.588 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.45 -43.58 98.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 17.0 t80 -57.65 -51.21 70.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.376 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 14.7 m -57.9 -42.56 84.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.214 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -61.76 -50.47 72.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.459 0.647 . . . . 0.0 110.138 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 105' ' ' TYR . 27.3 mm -61.36 -40.98 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.053 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.09 -63.59 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.783 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.9 -46.54 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.7 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.42 -45.98 90.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.698 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 101' ' ' ILE . 85.1 t80 -51.84 -46.74 64.47 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.685 0.755 . . . . 0.0 109.55 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -61.81 -38.32 87.69 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.04 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.4 m -61.22 -39.06 88.85 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.123 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.3 mt -68.12 -36.13 79.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.35 -48.38 85.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.35 -47.48 79.15 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -56.96 -29.18 62.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.246 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.76 17.83 55.78 Favored Glycine 0 N--CA 1.464 0.554 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.5 mt -73.29 -44.96 58.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.361 -0.92 . . . . 0.0 111.034 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.305 -179.307 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 121.036 0.446 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.9 OUTLIER -60.15 -55.5 33.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.54 -179.555 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD12 ' CE2' ' A' ' 98' ' ' TYR . 36.1 mt -65.46 -41.58 93.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.795 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -62.02 -48.44 80.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.699 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -58.44 -51.24 70.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.593 1.187 . . . . 0.0 110.15 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -55.78 -62.32 1.77 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 112.457 -2.156 . . . . 0.0 111.611 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 14.6 p -50.75 -45.23 58.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.007 0.432 . . . . 0.0 111.396 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.606 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 51.2 ttt85 -61.15 -45.24 95.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.169 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.97 -21.84 1.97 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.389 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mmt -96.5 -3.81 42.6 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.601 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 14' ' ' ARG . 75.7 p -91.49 -13.24 32.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.319 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -65.23 -45.32 85.14 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.589 0.709 . . . . 0.0 109.736 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -65.63 -35.81 81.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.091 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 17' ' ' THR . 37.4 m-85 -90.52 150.38 21.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.795 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 23' ' ' VAL . 12.5 pt-20 -115.14 172.27 7.17 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.61 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.611 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 27.5 t-80 62.38 5.1 1.47 Allowed 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.475 ' H ' ' C ' ' A' ' 21' ' ' GLU . 82.4 t -125.15 128.77 73.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' O ' ' OG ' ' A' ' 31' ' ' SER . 39.8 t0 -147.52 106.29 3.82 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.9 mt -85.29 92.17 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -98.18 -20.76 17.1 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.656 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -152.39 -178.48 6.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.419 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.438 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 53.0 m-85 -102.5 -11.52 18.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.926 0.394 . . . . 0.0 110.427 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 30' ' ' SER . 84.9 p -101.31 -75.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.431 ' N ' ' OG ' ' A' ' 29' ' ' SER . 46.5 m -56.77 -42.59 79.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.693 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 41.1 t -72.93 1.46 8.73 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.382 -178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.438 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.1 m95 -114.15 -10.46 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.597 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -62.23 -7.06 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.433 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.489 ' C ' ' H ' ' A' ' 36' ' ' MET . 6.0 t -91.85 -22.5 20.06 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.66 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.467 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 78.71 -13.37 18.1 Favored Glycine 0 CA--C 1.519 0.292 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.489 ' H ' ' C ' ' A' ' 34' ' ' SER . 49.9 mmm -61.93 -32.15 72.53 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.569 -0.816 . . . . 0.0 110.145 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.12 55.46 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.7 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -58.71 -45.4 89.62 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.186 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.622 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 14.8 p -70.27 -46.07 65.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.003 0.43 . . . . 0.0 111.299 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.622 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -64.8 -42.27 95.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.51 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.51 -44.2 96.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.889 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.47 -35.25 71.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.229 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -59.81 -36.99 77.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.139 0.495 . . . . 0.0 110.85 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -54.9 -37.65 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.296 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -90.89 -35.51 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.818 -178.213 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.461 ' CD1' HD13 ' A' ' 74' ' ' LEU . 97.8 m-85 -116.62 103.14 52.92 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.392 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_exo -75.01 -40.67 0.82 Allowed 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.922 1.748 . . . . 0.0 111.768 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.41 -0.56 3.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -56.19 -76.7 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.084 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -168.1 162.28 13.0 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.609 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -81.55 96.87 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 55' ' ' LEU . 66.1 t80 -62.2 -19.11 62.78 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.54 -22.49 34.94 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.624 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -81.46 -20.1 40.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.979 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 52' ' ' TYR . 72.5 mt -72.12 -171.25 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.477 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -159.32 164.47 20.63 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.233 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -74.95 -20.26 17.15 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.215 1.944 . . . . 0.0 110.246 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.16 -42.99 71.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.401 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.78 54.82 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.243 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 -69.84 -42.05 74.1 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.561 HH11 HG11 ' A' ' 87' ' ' VAL . 90.9 mtt-85 -50.26 -54.73 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.391 0.615 . . . . 0.0 110.409 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -62.56 -31.82 72.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.807 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.527 HD22 ' CB ' ' A' ' 39' ' ' CYS . 3.2 t-20 -61.94 -42.61 99.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 50.4 m-85 -67.98 -55.6 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.399 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.499 ' OG1' HG21 ' A' ' 83' ' ' VAL . 18.3 m -53.26 -42.79 66.86 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.44 ' O ' ' OG1' ' A' ' 70' ' ' THR . 55.8 tp -61.38 -46.95 88.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.013 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.07 87.08 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.034 -0.667 . . . . 0.0 110.086 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.98 -49.69 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.2 t -61.65 -28.84 69.67 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 32.4 m -77.84 -47.14 19.54 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.313 178.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.58 76.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 76' ' ' ASP . 13.0 tm-20 -72.04 -49.97 32.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.792 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -60.3 -40.3 90.01 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.859 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.6 mt -78.51 -45.17 22.62 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.484 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.93 8.69 7.45 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 72' ' ' GLU . 69.3 m-20 46.44 36.78 3.7 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.94 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 94.8 m -49.97 -163.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.547 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.73 168.59 14.21 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.384 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.86 41.32 3.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.928 0.394 . . . . 0.0 109.953 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.06 -20.97 63.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.548 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mt -116.26 138.71 51.08 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.166 0.507 . . . . 0.0 112.28 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 49.7 mp0 -108.32 144.2 36.17 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.273 178.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG21 ' OG1' ' A' ' 65' ' ' THR . 66.7 t -58.32 -51.65 68.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.441 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.2 p30 -55.33 -46.78 76.34 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.132 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 35.0 t0 -63.2 -43.92 96.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.054 0.455 . . . . 0.0 110.004 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.452 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.8 mtp -62.55 -44.52 96.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.347 0.594 . . . . 0.0 109.87 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.561 HG11 HH11 ' A' ' 61' ' ' ARG . 77.3 t -70.64 -41.28 77.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.883 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.405 ' NH2' ' OD1' ' A' ' 85' ' ' ASP . 65.3 ttp85 -70.72 -45.84 64.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.807 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.38 -51.68 62.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.081 0.467 . . . . 0.0 110.315 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 63.8 21.06 12.51 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.4 -1.334 . . . . 0.0 107.4 -177.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 90' ' ' ALA . 68.6 t -162.26 89.0 1.41 Allowed Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.462 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -72.46 -173.0 1.02 Allowed 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.983 1.789 . . . . 0.0 111.397 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.76 130.77 53.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.251 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.9 p -48.73 -31.62 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.092 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 99' ' ' THR . 20.6 ptmt -76.22 -34.07 59.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.486 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 59.4 m -69.12 -40.97 77.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.455 0.645 . . . . 0.0 110.581 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.18 -43.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.244 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.478 ' CE2' HD12 ' A' ' 9' ' ' LEU . 20.6 t80 -61.92 -53.05 61.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.845 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 100' ' ' TYR . 14.2 t -58.8 -42.5 89.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.331 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.506 ' N ' HG23 ' A' ' 99' ' ' THR . 47.9 t80 -61.4 -49.92 74.95 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.376 0.608 . . . . 0.0 110.053 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.13 -36.91 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.926 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -54.68 -56.75 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.701 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -60.12 -45.8 91.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.332 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.43 -43.94 96.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.707 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -54.01 -47.26 71.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.431 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.39 -40.47 90.99 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.871 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 t -61.01 -39.2 88.81 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.72 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 114' ' ' VAL . 90.1 mt -67.31 -37.61 83.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.828 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.43 -49.21 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -65.24 -49.16 70.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -51.99 -30.57 25.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.273 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.96 17.13 58.45 Favored Glycine 0 N--CA 1.463 0.487 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.36 -47.04 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.515 -0.843 . . . . 0.0 111.061 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' A' ' 108' ' ' LEU . 2.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.475 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.963 0.411 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.7 tpt -59.9 -46.67 88.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.311 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.473 HD12 ' CE2' ' A' ' 98' ' ' TYR . 87.4 mt -64.7 -44.34 90.58 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.536 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.45 -46.82 88.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.406 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.32 -53.26 60.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.626 1.203 . . . . 0.0 110.118 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -53.98 -60.13 3.73 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 112.489 -2.142 . . . . 0.0 111.551 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 13.6 p -53.89 -43.09 69.36 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.128 0.49 . . . . 0.0 111.084 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.598 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 33.9 ttm180 -58.48 -47.07 85.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.352 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.72 -26.28 3.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.232 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.467 ' N ' ' SD ' ' A' ' 16' ' ' MET . 3.5 mmt -97.63 -6.65 32.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.418 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.439 ' O ' HG22 ' A' ' 17' ' ' THR . 64.5 m -87.19 -14.42 41.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.366 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -65.18 -42.87 93.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.662 0.744 . . . . 0.0 109.617 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 29.6 t-20 -62.98 -35.61 80.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.911 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -91.53 151.17 20.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.125 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 23' ' ' VAL . 15.1 pt-20 -119.29 174.28 6.44 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.517 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.632 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 39.4 t-80 62.49 3.02 0.99 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 21' ' ' GLU . 89.8 t -123.94 127.16 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.308 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 29.5 p-10 -141.18 106.94 5.11 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.904 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.9 mt -85.34 89.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.492 0.663 . . . . 0.0 112.395 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -103.39 -2.63 26.68 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.946 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -167.03 178.38 5.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.264 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.421 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 42.6 m-85 -104.18 -12.11 16.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.929 0.395 . . . . 0.0 110.284 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 m -103.03 -72.99 0.68 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -60.04 -42.48 94.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.464 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.9 m -70.91 0.92 6.28 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.289 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.421 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 32.3 m95 -113.96 -6.38 13.17 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.647 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.6 m -54.89 -40.73 70.09 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.437 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.3 m -64.26 -22.99 67.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.51 -9.28 36.12 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.451 ' H ' ' C ' ' A' ' 34' ' ' SER . 53.9 mmm -62.19 -29.83 70.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.545 -0.828 . . . . 0.0 110.28 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.79 -51.34 56.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.839 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -45.95 86.28 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.366 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 3.6 m -68.87 -46.36 68.64 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.36 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.34 89.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.383 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.9 -43.92 91.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.927 0.394 . . . . 0.0 110.851 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.451 ' C ' ' H ' ' A' ' 44' ' ' LYS . 2.8 mm -66.98 -45.08 87.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.918 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 31.7 t-80 -57.28 -6.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 -178.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.98 -36.3 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.772 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -84.67 -40.72 17.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.855 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.553 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 34.4 m-85 -118.57 78.34 14.96 Favored Pre-proline 0 C--O 1.22 -0.448 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.212 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.1 Cg_endo -46.57 -34.05 14.28 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 121.819 1.679 . . . . 0.0 111.678 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -68.29 -1.1 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -54.75 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.618 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.2 p90 -167.22 160.74 13.95 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.619 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -78.51 90.31 4.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.17 -22.04 65.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.15 -12.79 59.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.512 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -94.05 -12.84 27.72 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.723 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.25 152.19 25.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.954 0.407 . . . . 0.0 110.897 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' C ' ' H ' ' A' ' 58' ' ' ALA . 22.3 m-20 -124.79 144.87 47.96 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.305 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.12 -12.17 1.32 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.043 1.828 . . . . 0.0 109.921 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.83 -45.75 63.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.649 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -85.96 60.08 6.02 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.316 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 19.4 ptp180 -73.74 -45.75 50.07 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 82.0 mtp180 -52.35 -48.6 65.42 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.409 0.623 . . . . 0.0 110.089 -178.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -66.94 -34.54 77.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.524 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.52 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 20.5 t-20 -61.7 -43.13 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.152 0.501 . . . . 0.0 110.539 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.52 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 52.5 m-85 -65.94 -57.7 7.24 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.569 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.455 ' OG1' HG21 ' A' ' 83' ' ' VAL . 12.6 m -51.58 -41.32 61.08 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.69 -50.06 75.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.218 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.87 80.49 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.895 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -78.16 -46.05 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.73 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.4 m -64.98 -27.51 68.88 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.665 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.6 m -77.43 -47.58 19.38 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.328 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.19 79.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' ASP . 83.2 tt0 -74.34 -49.54 22.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.091 0.472 . . . . 0.0 110.769 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -58.46 -43.23 88.77 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.459 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 46' ' ' PHE . 93.2 mt -78.76 -51.78 9.3 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.061 0.764 . . . . 0.0 113.061 -178.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 8.47 15.83 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 72' ' ' GLU . 74.9 m-20 45.21 43.59 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.927 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 76' ' ' ASP . 14.6 p -49.05 -166.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.487 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.76 172.89 9.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.255 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -127.52 68.6 1.3 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -101.58 -26.14 13.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.653 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.9 mt -116.26 142.71 46.48 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.383 0.611 . . . . 0.0 111.923 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -111.52 143.02 43.05 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.694 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.455 HG21 ' OG1' ' A' ' 65' ' ' THR . 61.5 t -58.05 -51.18 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.138 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -53.97 -44.95 71.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.008 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -59.53 -44.4 93.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 2.6 mtm -62.35 -47.16 85.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.439 0.637 . . . . 0.0 110.289 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.0 t -63.03 -43.78 99.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.645 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -72.46 -48.86 37.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.781 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.9 -47.99 67.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.371 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 57.05 29.0 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 90' ' ' ALA . 61.3 t -164.24 88.91 1.11 Allowed Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 113.789 -1.55 . . . . 0.0 109.63 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -71.22 -171.83 0.66 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 121.881 1.72 . . . . 0.0 111.42 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -124.13 131.5 53.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.289 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 76.4 p -49.24 -32.3 10.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.056 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -74.89 -35.53 62.26 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.537 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -66.58 -52.85 40.93 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.05 -43.33 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.021 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 16.4 t80 -59.81 -51.0 71.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.05 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.6 m -58.49 -44.67 89.5 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.77 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.85 -49.9 75.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.482 0.658 . . . . 0.0 110.19 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.5 mm -60.75 -40.3 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.088 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -50.59 -62.05 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -58.46 -45.44 88.6 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.755 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.6 -45.3 94.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.97 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -52.34 -47.57 65.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.49 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -60.65 -39.73 89.4 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.996 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 m -59.24 -39.38 82.59 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.952 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.8 mt -69.07 -37.15 78.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.2 -48.64 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -65.18 -44.07 89.61 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -58.88 -26.8 64.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.327 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.93 18.78 60.61 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.64 -50.62 17.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.486 -0.857 . . . . 0.0 110.856 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.594 -179.648 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.997 0.427 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 tpt -60.42 -48.45 81.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.332 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.498 HD22 ' CG2' ' A' ' 101' ' ' ILE . 89.9 mt -65.14 -43.34 92.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.46 -47.26 86.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.454 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.54 -49.41 76.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.629 1.204 . . . . 0.0 110.004 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -61.17 -62.48 1.81 Allowed 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 112.533 -2.121 . . . . 0.0 111.226 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 m -51.61 -48.93 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.016 0.436 . . . . 0.0 110.764 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -60.28 -47.04 87.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.311 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -54.66 -24.15 20.43 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.365 -178.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -106.75 -2.13 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.742 -179.46 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -10.13 34.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.343 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -67.35 -37.77 83.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.669 0.747 . . . . 0.0 109.283 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -56.79 -33.61 66.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.523 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 66.9 m-85 -106.98 102.11 11.49 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.855 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 23' ' ' VAL . 95.8 mt-10 -66.56 -172.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.626 0.25 . . . . 0.0 110.757 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.635 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 32.2 t-80 60.15 1.48 0.35 Allowed 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.911 0.862 . . . . 0.0 108.838 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 21' ' ' GLU . 77.9 t -124.01 128.45 74.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.878 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 41.9 p-10 -140.67 106.44 5.14 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.7 mt -86.27 83.74 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 121.392 0.615 . . . . 0.0 112.48 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -95.93 -20.69 18.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.958 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -147.67 179.0 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.179 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 72.5 m-85 -104.69 -9.88 17.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.983 0.42 . . . . 0.0 110.437 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -105.21 -72.74 0.7 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.8 t -60.74 -44.21 96.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.447 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m -69.47 0.05 5.79 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.073 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.47 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 28.2 m95 -112.16 -3.83 14.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.637 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -64.92 -0.5 1.56 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.438 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 36' ' ' MET . 3.1 m -95.33 -25.2 16.4 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.35 -14.89 14.05 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -178.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.602 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 33.6 mtt -64.23 -33.5 75.94 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.64 -0.78 . . . . 0.0 110.4 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -53.57 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.547 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -58.57 -46.6 86.58 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.136 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 1.6 m -67.4 -46.15 74.08 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.925 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.6 97.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.963 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.42 -43.66 96.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.862 0.363 . . . . 0.0 110.492 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 44' ' ' LYS . 3.0 mm -66.27 -44.31 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.534 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.655 ' CD2' ' H ' ' A' ' 52' ' ' TYR . 63.0 t-80 -52.81 -10.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.168 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 42' ' ' ILE . 16.6 tptp -84.09 -35.27 23.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.645 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.99 -31.49 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.022 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.469 ' CG ' HD13 ' A' ' 74' ' ' LEU . 43.6 m-85 -131.28 95.93 23.14 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.525 -177.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -76.32 -42.06 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.989 1.793 . . . . 0.0 111.6 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.48 -17.55 14.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.97 -60.1 3.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.928 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 30.4 p90 -172.6 165.61 5.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.481 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -94.13 109.46 21.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.655 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 67.7 t80 -63.04 -17.38 62.17 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.88 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.36 -24.3 37.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.715 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -75.6 -18.8 59.61 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.9 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -68.1 -179.9 1.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.021 0.439 . . . . 0.0 111.319 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 58' ' ' ALA . 12.6 t70 -159.16 137.0 7.32 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.321 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.492 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 1.8 Cg_endo -52.43 -11.17 1.06 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.909 1.739 . . . . 0.0 109.909 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -83.51 -10.11 58.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.132 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.44 57.08 0.77 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.939 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' A' ' 57' ' ' PRO . 88.4 mtm-85 -70.2 -51.01 34.26 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.419 ' HG2' HG21 ' A' ' 87' ' ' VAL . 82.1 mtp180 -51.9 -45.83 64.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.36 0.6 . . . . 0.0 110.484 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -67.01 -35.19 79.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.768 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.509 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 22.3 t-20 -62.36 -43.53 98.61 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.798 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.554 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 50.6 m-85 -67.91 -55.01 14.42 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.75 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.5 m -53.47 -43.57 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.122 0.487 . . . . 0.0 109.77 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.9 -46.48 90.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.087 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.86 88.18 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.259 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -79.52 -47.57 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.746 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.7 m -61.28 -27.41 68.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.771 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.0 m -80.38 -46.2 16.44 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.047 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.47 83.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 76' ' ' ASP . 49.0 mt-10 -76.8 -47.12 22.48 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.195 0.522 . . . . 0.0 111.02 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -57.06 -46.07 82.74 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.706 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 46' ' ' PHE . 98.6 mt -79.23 -45.78 19.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -178.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.29 7.99 10.8 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 72' ' ' GLU . 53.6 t0 48.35 34.43 4.65 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.627 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.481 ' O ' ' O ' ' A' ' 76' ' ' ASP . 64.3 m -47.51 -167.04 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.681 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.57 171.2 11.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.529 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -129.95 42.64 3.25 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.972 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.03 -26.32 67.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.734 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -114.85 141.3 48.1 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.209 0.528 . . . . 0.0 112.38 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -111.42 132.57 54.35 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.187 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.524 ' O ' HG23 ' A' ' 87' ' ' VAL . 78.0 t -47.49 -54.05 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.815 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 42.6 p-10 -54.18 -45.14 72.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.479 -178.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.586 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 98.8 m-20 -59.8 -44.22 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.55 0.691 . . . . 0.0 109.852 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.554 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 11.5 mtp -63.69 -44.79 92.63 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.554 0.692 . . . . 0.0 110.42 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 83' ' ' VAL . 74.1 t -62.1 -49.52 83.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.064 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.532 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 11.4 ptm180 -70.38 -45.34 66.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.908 0.385 . . . . 0.0 111.923 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.532 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 67.9 mt -62.2 -53.71 51.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.045 -178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 65.02 22.38 12.4 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 90' ' ' ALA . 56.3 t -161.47 91.78 1.46 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 113.79 -1.55 . . . . 0.0 109.43 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.58 -179.82 4.87 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.82 1.68 . . . . 0.0 111.264 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 95.8 m-20 -114.78 127.72 55.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.879 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 t -50.09 -33.27 18.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.461 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 95' ' ' LYS . 17.0 pttp -70.94 -40.82 71.82 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.791 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.635 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 2.5 p -65.28 -47.24 77.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.635 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 93.4 t -63.23 -44.79 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.1 t80 -60.27 -50.68 72.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.001 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 m -57.59 -45.16 85.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.006 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -61.25 -49.32 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.39 0.614 . . . . 0.0 110.119 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.498 ' CG2' HD22 ' A' ' 9' ' ' LEU . 7.2 mm -60.4 -40.94 85.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.899 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -51.75 -61.32 2.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.823 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -58.95 -46.65 87.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.685 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.5 tp -58.73 -47.24 85.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.678 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -52.35 -46.82 66.29 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.62 0.724 . . . . 0.0 109.63 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.65 -40.3 91.5 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.983 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.3 m -59.68 -40.39 87.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.041 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.0 mt -69.52 -35.44 75.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.39 -49.08 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -65.93 -43.39 88.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.615 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -58.11 -27.49 63.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.332 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.53 17.81 61.43 Favored Glycine 0 N--CA 1.463 0.49 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.8 mt -76.08 -40.48 53.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.452 -0.874 . . . . 0.0 110.904 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 CA--C 1.533 0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.98 -178.811 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ttt -60.14 -43.56 95.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.09 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD22 ' CG2' ' A' ' 101' ' ' ILE . 42.2 mt -61.85 -42.92 99.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.02 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.451 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 56.9 tp -60.55 -45.87 92.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.019 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -59.24 -55.14 38.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.493 1.14 . . . . 0.0 109.779 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -51.19 -61.03 2.49 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.523 -2.126 . . . . 0.0 111.329 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 13.9 p -52.88 -44.3 66.76 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.236 0.541 . . . . 0.0 111.019 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.614 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 73.8 mtp85 -62.98 -41.89 99.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.483 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.3 -24.1 67.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.496 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.437 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.8 mpp? -111.42 -1.94 15.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.712 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 17' ' ' THR . 96.3 m -106.55 -8.32 17.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.14 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -63.25 -55.05 28.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.557 0.694 . . . . 0.0 109.457 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -46.38 -25.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.548 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.487 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 26.0 m-85 -93.87 97.27 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.601 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.629 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.01 -179.71 1.59 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 -179.528 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.607 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 28.6 t-80 61.45 -2.46 0.24 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.807 0.813 . . . . 0.0 108.851 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.629 ' H ' ' C ' ' A' ' 21' ' ' GLU . 99.9 t -126.66 130.58 71.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.932 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -144.43 109.03 4.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.655 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.4 mt -85.4 91.26 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.555 0.693 . . . . 0.0 112.575 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -102.24 -0.24 33.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.85 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.85 ' ND2' ' H ' ' A' ' 30' ' ' SER . 25.4 p-10 -171.5 -178.43 2.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.45 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.437 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 79.9 m-85 -105.53 -10.78 16.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.16 0.505 . . . . 0.0 110.566 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.3 p -99.45 -76.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.85 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 22.0 m -58.73 -39.62 81.41 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.842 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 m -73.36 1.37 9.76 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.353 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.437 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 36.5 m95 -114.62 -8.01 12.73 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.786 -179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 t -54.71 -40.97 69.76 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.066 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.1 m -63.2 -23.54 67.48 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.496 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.12 -9.4 26.09 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 -178.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.523 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 64.3 mtp -64.62 -27.33 68.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.634 -0.783 . . . . 0.0 110.118 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.38 59.14 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.427 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -44.41 83.97 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.104 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' SG ' ' ND2' ' A' ' 63' ' ' ASN . 11.0 m -66.18 -46.3 77.85 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.078 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB1' ' CD2' ' A' ' 20' ' ' TYR . . . -62.91 -42.94 99.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.535 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.52 -43.06 95.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 0.0 111.005 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mm -65.68 -41.74 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.581 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.487 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 37.8 t-80 -54.24 -48.02 71.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.365 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -44.2 -33.33 1.51 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.185 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -95.69 -27.22 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.082 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -126.12 97.85 34.13 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.463 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.564 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.7 Cg_endo -75.68 -39.17 1.07 Allowed 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.926 1.751 . . . . 0.0 111.68 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.54 6.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.564 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -70.56 -73.08 0.18 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.847 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.411 ' CG ' HD21 ' A' ' 66' ' ' LEU . 15.1 p90 -166.63 160.31 14.92 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.67 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -83.26 97.94 9.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.15 -22.66 63.15 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.903 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.2 -16.87 51.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.44 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -86.14 -19.94 29.38 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.617 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.0 mt -83.1 153.75 24.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 0.0 111.136 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 58' ' ' ALA . 3.4 m-20 -127.03 145.03 52.5 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.16 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -52.21 -11.53 1.11 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.099 1.866 . . . . 0.0 109.829 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.23 -44.5 68.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.612 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -89.16 61.92 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.169 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' ARG . 32.5 ptt180 -73.56 -42.73 61.27 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 79.8 mtp180 -53.21 -47.5 68.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.387 0.613 . . . . 0.0 110.268 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -68.69 -33.11 73.4 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.716 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.463 ' ND2' ' SG ' ' A' ' 39' ' ' CYS . 3.4 t-20 -63.08 -41.59 99.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.513 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 36.6 m-85 -68.01 -54.76 16.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.419 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.438 ' OG1' HG21 ' A' ' 83' ' ' VAL . 12.0 m -55.92 -43.25 77.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.606 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 50' ' ' PHE . 45.8 tp -59.38 -48.95 79.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.173 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.2 76.83 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.007 -179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.438 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 46.4 m-85 -81.66 -52.73 6.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -60.02 -30.22 69.02 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.91 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.3 m -78.1 -46.86 19.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.285 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.41 73.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -72.22 -49.53 34.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.492 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -59.54 -40.18 86.39 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.408 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.3 mt -78.61 -46.04 20.21 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.28 7.49 7.8 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 72' ' ' GLU . 93.1 m-20 47.02 35.77 3.62 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.013 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 76' ' ' ASP . 95.6 m -48.66 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.577 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' A' ' 72' ' ' GLU . . . -84.54 170.27 13.61 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.411 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -129.8 42.82 3.23 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.83 -26.5 66.95 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.545 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.09 142.3 44.71 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 121.24 0.543 . . . . 0.0 112.143 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.496 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 96.8 mt-10 -114.34 128.89 56.57 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.352 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.438 HG21 ' OG1' ' A' ' 65' ' ' THR . 92.3 t -44.6 -53.01 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.431 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -53.71 -47.11 70.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.524 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -63.81 -42.68 97.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.016 0.436 . . . . 0.0 110.106 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.523 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 8.5 mtp -62.33 -46.02 90.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.571 0.701 . . . . 0.0 109.744 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.6 t -68.3 -42.08 84.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.043 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -71.34 -47.97 53.25 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.8 -50.53 64.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.29 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 63.07 24.84 14.68 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -177.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 90' ' ' ALA . 62.9 t -163.5 89.19 1.2 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 113.807 -1.542 . . . . 0.0 109.584 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.04 -174.45 1.56 Allowed 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.925 1.75 . . . . 0.0 111.372 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 46.1 t0 -122.21 129.38 52.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.31 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 t -49.45 -30.58 8.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.062 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -71.94 -40.51 68.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.559 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.653 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 6.1 p -66.1 -46.99 75.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.201 0.524 . . . . 0.0 110.602 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.653 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 71.3 t -65.92 -44.59 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 15.2 t80 -58.1 -51.03 71.38 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.6 m -58.07 -42.67 86.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.007 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -60.65 -50.71 72.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.39 0.614 . . . . 0.0 110.269 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.411 ' CG2' HD22 ' A' ' 9' ' ' LEU . 30.0 mm -61.86 -41.71 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.119 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -49.93 -63.81 1.0 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.941 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.44 -44.97 89.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.897 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.56 -46.85 87.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.694 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -51.77 -46.26 64.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.613 0.721 . . . . 0.0 109.53 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.141 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.5 p -59.94 -41.37 91.67 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.965 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.6 -40.53 95.14 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.687 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.75 -45.56 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.577 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.01 -50.91 70.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -59.32 -25.04 63.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.309 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.06 20.4 57.58 Favored Glycine 0 N--CA 1.463 0.441 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 113' ' ' LEU . 18.0 mt -74.01 -42.3 60.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.303 -0.949 . . . . 0.0 111.108 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.478 -179.242 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.98 0.419 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -57.98 -46.53 85.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.45 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.445 HD12 ' CE2' ' A' ' 98' ' ' TYR . 95.5 mt -63.44 -44.27 95.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.389 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.17 -48.5 78.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.686 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -57.02 -51.9 67.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.544 1.164 . . . . 0.0 109.928 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -59.12 -60.39 3.95 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.446 -2.161 . . . . 0.0 111.307 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 8.2 p -52.58 -42.94 64.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.12 0.486 . . . . 0.0 111.0 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.616 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 70.6 ttp85 -59.94 -47.26 86.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.997 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.92 -39.73 55.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.407 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.444 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 18.1 mmt -78.77 -27.77 44.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.757 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.64 -16.31 59.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.619 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 20' ' ' TYR . 79.9 ttt180 -59.81 -62.98 1.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.708 0.766 . . . . 0.0 109.386 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.561 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 48.9 p-10 -39.11 -24.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.138 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.561 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 26.1 m-85 -98.12 158.93 15.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.611 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' A' ' 23' ' ' VAL . 80.5 mm-40 -121.18 176.99 5.33 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.791 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER 58.92 3.76 0.35 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.466 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.548 ' H ' ' C ' ' A' ' 21' ' ' GLU . 49.6 t -122.28 130.72 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.751 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -145.9 106.01 4.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.876 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.2 mt -82.05 94.86 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 112.321 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -105.99 -22.73 12.82 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.169 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' H ' ' A' ' 29' ' ' SER . 20.0 m120 -155.19 136.8 14.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.359 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.489 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 46.3 m-85 -62.06 -6.11 2.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.151 0.5 . . . . 0.0 110.532 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 27' ' ' ASN . 41.5 t -99.77 -76.29 0.55 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -58.04 -42.11 84.69 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.507 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.7 m -73.02 2.59 6.69 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.306 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.489 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.1 m95 -115.91 -9.72 11.76 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.801 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 p -58.34 -18.27 26.16 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.329 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.4 m -85.74 -23.66 27.23 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.727 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 78.41 -12.02 22.13 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 -178.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.473 ' H ' ' C ' ' A' ' 34' ' ' SER . 41.2 mmm -61.76 -28.33 69.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.492 -0.854 . . . . 0.0 110.073 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -49.31 47.33 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.732 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -29.55 64.58 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.923 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.552 ' SG ' ' ND2' ' A' ' 63' ' ' ASN . 91.3 m -83.36 -45.12 14.1 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.309 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 20' ' ' TYR . . . -62.85 -43.1 99.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.668 -178.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.71 -42.33 97.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.03 0.443 . . . . 0.0 110.928 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 42' ' ' ILE . 9.6 mm -66.72 -40.97 87.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.397 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.528 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 31.7 t-80 -54.21 -49.92 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.371 -177.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HG2' HD21 ' A' ' 19' ' ' ASN . 4.0 mmmt -43.92 -32.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.721 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.8 m-85 -95.07 -29.3 14.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.769 -178.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -123.99 99.63 37.69 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.457 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.9 Cg_endo -74.93 -38.68 1.52 Allowed 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 121.832 1.688 . . . . 0.0 111.811 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.2 2.75 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -62.08 -75.65 0.07 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.033 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 4.7 p90 -166.32 160.22 15.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.601 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -82.67 95.49 7.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 32.9 t80 -61.4 -19.82 62.36 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.938 0.399 . . . . 0.0 111.113 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.51 -14.77 57.97 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.804 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.47 -9.39 32.69 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.463 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 52' ' ' TYR . 85.3 mt -77.84 145.19 36.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.049 0.452 . . . . 0.0 111.004 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.41 169.2 7.43 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.212 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -74.04 -20.91 18.79 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.152 1.901 . . . . 0.0 110.32 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.78 74.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.231 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -77.6 44.5 0.45 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.238 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -65.83 -56.71 10.48 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 8.3 ptm180 -50.07 -46.35 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.193 0.521 . . . . 0.0 110.167 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.512 ' N ' ' CG ' ' A' ' 61' ' ' ARG . 86.6 m-70 -63.52 -31.75 73.0 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.605 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.552 ' ND2' ' SG ' ' A' ' 39' ' ' CYS . 5.7 t-20 -62.32 -40.78 97.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.338 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.522 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 37.9 m-85 -68.76 -53.83 19.54 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.522 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.458 ' OG1' HG21 ' A' ' 83' ' ' VAL . 13.2 m -54.53 -42.18 70.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.4 tp -59.81 -48.55 81.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.028 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.89 79.33 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.984 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.53 -52.23 7.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.148 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.8 t -61.64 -29.1 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -79.27 -45.56 19.51 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.011 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.8 81.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.092 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 76' ' ' ASP . 98.2 mt-10 -74.17 -47.39 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.28 0.562 . . . . 0.0 110.759 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -59.04 -44.23 91.75 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.978 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.1 mt -80.55 -40.0 26.71 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.3 5.38 7.74 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.0 t0 47.44 33.42 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.878 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 76' ' ' ASP . 29.4 p -50.47 -164.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.607 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.03 167.61 16.7 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.157 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -135.44 38.74 2.89 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 2.1 mt -69.98 -17.05 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.503 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.5 mt -110.06 144.78 38.15 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.263 0.554 . . . . 0.0 111.915 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.7 129.77 56.73 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.087 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.458 HG21 ' OG1' ' A' ' 65' ' ' THR . 79.4 t -48.81 -53.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.584 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -54.82 -45.33 74.42 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.237 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 94.1 m-20 -61.06 -44.93 96.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.098 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.522 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 10.2 mtp -62.85 -45.67 91.5 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.289 0.566 . . . . 0.0 110.263 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 83' ' ' VAL . 55.1 t -61.25 -52.45 61.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.845 -1.071 . . . . 0.0 111.944 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.537 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 7.2 ptm180 -67.28 -44.76 78.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.785 0.326 . . . . 0.0 111.722 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.537 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 65.9 mt -62.17 -54.2 44.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.058 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 62.56 22.26 13.18 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -177.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 90' ' ' ALA . 69.9 t -161.0 87.03 1.71 Allowed Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.506 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.52 -172.8 1.14 Allowed 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 121.847 1.698 . . . . 0.0 111.358 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -120.35 129.78 54.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.241 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.3 m -52.16 -31.63 32.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.966 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -71.2 -42.34 69.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.178 0.513 . . . . 0.0 110.058 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.4 m -63.49 -49.72 72.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.303 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 63.4 t -61.46 -43.9 97.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.486 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 14.3 t80 -57.7 -50.78 72.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.143 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.0 m -57.75 -43.69 85.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.903 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.52 -50.22 73.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.446 0.641 . . . . 0.0 110.231 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.97 -40.88 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.114 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -51.86 -60.49 3.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.863 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -59.56 -47.19 86.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.642 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.24 -46.04 89.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.906 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -51.42 -47.45 63.0 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.66 0.743 . . . . 0.0 109.711 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.1 mtp-105 -60.19 -38.74 84.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.134 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 t -61.15 -41.39 96.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.979 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.84 -36.37 82.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.39 -48.49 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.899 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -66.61 -47.7 71.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -55.81 -28.8 58.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.192 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.3 18.87 56.59 Favored Glycine 0 N--CA 1.465 0.57 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.6 mt -74.37 -42.38 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.464 -0.868 . . . . 0.0 110.866 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.102 -179.267 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.1 t30 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.4 tpt -52.72 -56.33 16.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.568 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.408 HD22 ' CG2' ' A' ' 101' ' ' ILE . 86.0 mt -64.69 -44.32 90.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.23 -47.28 86.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.44 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.5 -50.3 73.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.594 1.188 . . . . 0.0 110.021 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -59.69 -61.85 2.31 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 112.574 -2.103 . . . . 0.0 111.588 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.6 m -52.27 -44.13 64.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.934 0.397 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -57.59 -45.51 85.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.352 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.7 -41.56 61.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.203 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.8 mmt -84.21 -10.32 57.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.775 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.545 ' OG1' HD12 ' A' ' 25' ' ' ILE . 4.0 m -89.42 -17.41 28.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.027 0.442 . . . . 0.0 111.286 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -62.58 -55.16 29.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.574 0.702 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.43 HD22 ' HE2' ' A' ' 44' ' ' LYS . 90.1 m-20 -51.28 -30.0 16.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.701 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.49 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 25.8 m-85 -89.15 149.85 22.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.717 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 23' ' ' VAL . 98.9 mt-10 -119.7 173.65 6.89 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.669 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.616 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 43.4 t-80 63.06 0.81 0.77 Allowed 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.533 ' H ' ' C ' ' A' ' 21' ' ' GLU . 96.0 t -125.76 128.67 72.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.746 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 99.6 m-20 -140.71 108.56 5.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.6 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.545 HD12 ' OG1' ' A' ' 17' ' ' THR . 97.0 mt -84.71 88.87 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.561 0.696 . . . . 0.0 112.632 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -92.93 -24.87 18.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.121 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -147.84 -173.96 4.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.221 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.448 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 55.5 m-85 -105.59 -12.02 16.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.987 0.422 . . . . 0.0 110.469 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.2 m -104.04 -71.84 0.72 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 t -60.41 -42.88 96.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.517 -178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 m -71.32 1.94 5.5 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.216 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.448 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 33.5 m95 -113.85 -6.1 13.23 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.538 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.1 p -62.52 -3.8 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.567 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.467 ' C ' ' H ' ' A' ' 36' ' ' MET . 9.0 t -90.94 -25.78 19.6 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.598 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.8 -15.08 16.08 Favored Glycine 0 CA--C 1.517 0.177 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 58.0 mtp -65.85 -32.25 73.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.64 -0.78 . . . . 0.0 110.091 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.34 -53.43 57.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.431 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -57.45 -44.95 85.16 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.041 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 3.6 m -66.9 -45.59 77.49 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.4 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.33 98.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.372 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.3 tp -65.5 -42.51 92.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.933 0.397 . . . . 0.0 111.157 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.53 -43.07 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.569 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.49 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 48.7 t-80 -54.36 -47.28 72.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.069 0.461 . . . . 0.0 111.499 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HE2' HD22 ' A' ' 19' ' ' ASN . 22.9 tptp -42.62 -34.96 0.97 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.337 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -99.25 -21.89 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 85.6 m-85 -127.64 64.42 63.61 Favored Pre-proline 0 C--O 1.215 -0.736 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.54 -38.54 16.46 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.844 1.696 . . . . 0.0 111.74 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.29 -28.49 66.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' PHE . . . -34.37 -72.63 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.709 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CD2' HD21 ' A' ' 66' ' ' LEU . 5.5 p90 -167.69 162.33 13.94 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.53 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -80.82 89.62 5.83 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -52.68 -23.39 6.55 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.038 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.94 -17.4 50.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -88.54 -17.98 29.1 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -80.63 151.86 28.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.056 0.455 . . . . 0.0 111.533 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -119.46 162.86 30.19 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.194 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -73.94 -18.34 21.66 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.097 1.865 . . . . 0.0 110.585 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.03 92.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.385 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -91.38 51.3 1.88 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.092 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -65.06 -42.23 94.4 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -52.83 -52.87 55.44 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.55 0.69 . . . . 0.0 110.618 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -60.61 -32.49 71.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.229 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.464 ' CG ' ' SG ' ' A' ' 39' ' ' CYS . 4.0 t-20 -63.62 -40.54 97.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.034 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.3 m-85 -65.28 -57.87 7.37 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.033 -0.667 . . . . 0.0 109.358 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.499 ' OG1' HG21 ' A' ' 83' ' ' VAL . 13.6 m -53.49 -43.49 68.26 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.748 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 50' ' ' PHE . 61.3 tp -59.86 -48.16 82.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.078 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.486 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -61.65 -39.12 90.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.047 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.55 -46.72 21.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.945 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.7 p -66.36 -26.32 67.22 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.803 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -76.61 -48.95 17.5 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.443 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.8 76.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.955 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ASP . 81.0 tt0 -71.6 -50.8 27.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.962 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -61.97 -40.84 96.96 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.915 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.5 mt -85.28 -40.15 16.91 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.91 -0.87 10.55 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 77' ' ' CYS . 58.2 t0 49.96 28.99 3.14 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 119.571 -0.852 . . . . 0.0 109.784 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.451 ' O ' ' O ' ' A' ' 76' ' ' ASP . 14.3 p -49.72 -165.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.743 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.88 169.93 12.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -133.92 38.2 3.2 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.002 0.429 . . . . 0.0 109.866 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 8.5 mt -65.24 -19.89 66.17 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.359 -178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.16 143.59 42.95 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.348 0.594 . . . . 0.0 112.039 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 95.8 mt-10 -114.29 134.09 55.2 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.466 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG21 ' OG1' ' A' ' 65' ' ' THR . 84.0 t -51.59 -53.25 17.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.563 -178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -52.25 -45.02 65.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.443 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.6 OUTLIER -64.94 -41.47 95.48 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.19 0.519 . . . . 0.0 110.554 -179.646 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.509 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.0 mtp -61.94 -45.45 93.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.69 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.57 -44.33 93.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.024 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -71.46 -48.8 47.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.8 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.58 -52.47 60.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.138 0.494 . . . . 0.0 110.541 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.11 26.58 15.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -177.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 90' ' ' ALA . 73.5 t -163.34 87.52 1.27 Allowed Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.833 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -72.41 -170.91 0.63 Allowed 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 121.908 1.738 . . . . 0.0 111.348 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.479 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 57.5 t0 -126.23 130.16 50.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.946 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.8 p -47.02 -30.24 2.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.532 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -34.77 60.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.618 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 4.9 p -68.16 -47.86 66.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.905 0.383 . . . . 0.0 110.597 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.618 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 97.2 t -67.13 -43.86 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.228 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.5 t80 -59.95 -51.09 71.17 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.088 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 m -58.69 -43.06 89.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.165 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -62.01 -50.63 71.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.264 0.554 . . . . 0.0 110.204 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.408 ' CG2' HD22 ' A' ' 9' ' ' LEU . 10.5 mm -61.59 -40.82 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.143 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -50.17 -62.26 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.81 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -57.55 -43.83 84.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.693 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.08 -45.38 94.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -53.97 -47.78 71.02 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.482 0.658 . . . . 0.0 109.696 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -60.4 -43.51 96.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.867 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -58.48 -40.94 84.13 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.772 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.42 ' CB ' HG23 ' A' ' 114' ' ' VAL . 95.1 mt -63.64 -39.11 93.52 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.577 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.87 -46.46 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.416 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.67 -47.93 79.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -60.73 -22.57 64.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.85 19.86 72.02 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.03 -43.27 54.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.431 -0.885 . . . . 0.0 111.233 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.42 HG23 ' CB ' ' A' ' 108' ' ' LEU . 67.5 t . . . . . 0 CA--C 1.532 0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 121.031 0.443 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.7 ttt -58.76 -45.88 88.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.197 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.77 -47.64 85.38 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.136 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.85 -44.54 94.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -59.99 -55.47 33.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.713 1.244 . . . . 0.0 109.954 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 75.2 t90 -51.52 -61.98 1.91 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 112.501 -2.136 . . . . 0.0 111.354 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' SG ' HD13 ' A' ' 41' ' ' LEU . 1.4 t -53.28 -44.66 68.43 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.306 0.574 . . . . 0.0 111.22 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -60.62 -35.75 76.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.529 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 12' ' ' TRP . . . -62.36 -17.52 59.17 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.415 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 ptp -120.87 -3.28 9.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.643 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 m -88.54 -13.36 40.34 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.252 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -65.53 -40.72 93.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.677 0.751 . . . . 0.0 109.624 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -57.99 -34.45 70.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.037 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.485 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 69.8 m-85 -93.46 152.39 19.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.796 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 23' ' ' VAL . 94.7 mt-10 -117.82 173.41 6.77 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.666 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.628 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 47.0 t-80 64.31 6.67 3.13 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 122.062 0.935 . . . . 0.0 108.805 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 21' ' ' GLU . 63.9 t -126.14 127.96 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.186 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -140.67 108.56 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.778 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.02 89.0 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.475 0.655 . . . . 0.0 112.483 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -99.1 -26.03 14.35 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.102 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -149.64 -174.91 4.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.354 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.429 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 89.1 m-85 -104.99 -11.51 16.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.218 0.533 . . . . 0.0 110.422 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.9 p -105.41 -72.64 0.7 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.979 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -60.65 -44.04 96.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.333 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -70.17 -0.72 8.35 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.918 -178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.432 ' C ' ' H ' ' A' ' 34' ' ' SER . 29.7 m95 -112.47 -4.16 14.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.016 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -62.24 0.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.214 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 36' ' ' MET . 59.8 p -96.52 -25.04 15.78 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.701 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.69 -13.95 11.18 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 -178.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.502 ' H ' ' C ' ' A' ' 34' ' ' SER . 3.0 mmt -64.7 -27.47 68.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.553 -0.823 . . . . 0.0 110.305 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 -51.93 62.05 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.766 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -58.27 -45.68 87.42 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.099 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.493 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 4.5 m -66.53 -47.06 74.11 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.264 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.485 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -61.64 -41.92 98.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.323 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.502 HD13 ' SG ' ' A' ' 13' ' ' CYS . 55.9 tp -64.31 -43.4 94.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 110.886 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mm -67.21 -43.92 88.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.718 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 46.1 t-80 -57.95 -10.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.547 -178.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -71.65 -39.22 70.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.802 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -104.97 -9.64 17.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.83 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' A' ' 74' ' ' LEU . 88.3 m-85 -129.3 94.59 32.81 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.557 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -75.71 -36.11 2.32 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.924 1.749 . . . . 0.0 111.518 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -69.37 -1.49 8.44 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -61.32 -75.85 0.06 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.894 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.1 p90 -167.19 160.97 14.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.668 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -83.62 93.34 7.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' HA ' HD12 ' A' ' 55' ' ' LEU . 64.9 t80 -59.84 -21.66 61.23 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.928 -179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.77 -8.62 59.73 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -101.67 -14.99 17.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.435 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 52' ' ' TYR . 85.5 mt -74.26 150.4 40.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 110.98 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.02 164.63 16.17 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.06 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.24 -24.35 14.62 Favored 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 122.161 1.907 . . . . 0.0 110.068 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.5 85.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.366 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -80.67 51.47 1.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.579 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 61' ' ' ARG . 25.2 ptt-85 -72.12 -44.93 62.41 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 94.6 mtm-85 -53.26 -46.39 69.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.304 0.573 . . . . 0.0 109.984 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -66.79 -33.25 75.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.493 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 17.1 t-20 -62.49 -41.34 98.74 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.052 0.453 . . . . 0.0 110.475 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.447 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 48.2 m-85 -69.05 -53.4 20.59 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.736 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.483 ' OG1' HG21 ' A' ' 83' ' ' VAL . 15.5 m -56.6 -43.14 79.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.403 HD21 ' CG ' ' A' ' 50' ' ' PHE . 48.7 tp -61.01 -47.77 84.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.096 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.34 78.93 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.94 -0.704 . . . . 0.0 109.969 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 42.2 m-85 -82.38 -51.4 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.975 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.4 p -60.64 -29.86 69.51 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.79 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.416 HG22 HD12 ' A' ' 74' ' ' LEU . 97.7 m -76.64 -49.34 16.44 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.366 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.7 -29.67 70.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 76' ' ' ASP . 44.2 tt0 -70.28 -52.47 22.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.081 0.467 . . . . 0.0 110.53 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -61.69 -37.03 82.64 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.866 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 46' ' ' PHE . 97.7 mt -80.35 -44.81 18.82 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.2 5.54 7.1 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.6 t0 47.1 33.9 2.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.898 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.1 t -48.83 -165.74 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.599 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.02 169.95 13.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.362 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -131.86 42.18 3.19 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.11 -23.53 64.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.399 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -110.46 141.98 42.83 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 121.181 0.515 . . . . 0.0 112.09 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.52 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 68.4 mm-40 -115.07 128.84 56.49 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.547 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG21 ' OG1' ' A' ' 65' ' ' THR . 78.2 t -44.21 -53.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.444 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -53.88 -47.67 70.84 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.331 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -62.68 -43.43 98.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 110.315 -179.529 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.522 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 6.9 mtp -61.96 -45.58 93.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.6 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 83' ' ' VAL . 79.9 t -68.24 -41.64 84.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.9 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -71.96 -48.76 42.87 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.729 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.52 -49.61 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.263 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 56.48 29.22 14.99 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.723 HG12 ' O ' ' A' ' 91' ' ' VAL . 73.4 t -161.01 60.91 1.34 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 113.785 -1.552 . . . . 0.0 109.893 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.502 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.4 Cg_endo -44.99 -179.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 121.965 1.777 . . . . 0.0 111.41 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -118.51 130.61 56.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.317 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 m -49.44 -33.4 14.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.038 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.464 ' O ' ' OG1' ' A' ' 99' ' ' THR . 25.8 ttpp -73.44 -36.69 65.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.55 179.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.4 m -66.43 -51.88 52.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.64 -43.47 94.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 28.6 t80 -60.09 -50.83 72.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.966 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 18.7 m -58.07 -43.27 86.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.029 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -63.0 -51.07 68.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.492 0.663 . . . . 0.0 110.171 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.0 mm -60.26 -40.2 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.961 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -52.68 -59.43 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.653 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.31 -45.6 90.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.551 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.01 -46.35 88.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.621 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -53.26 -47.66 68.9 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.76 0.791 . . . . 0.0 109.687 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -61.24 -43.02 99.55 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.235 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.5 m -58.63 -40.97 84.88 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.089 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.14 -40.11 94.84 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.973 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.95 -45.5 98.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -62.23 -50.4 71.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.3 -17.05 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.235 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.9 20.79 77.51 Favored Glycine 0 N--CA 1.464 0.537 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.8 mt -72.88 -43.4 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.381 -0.91 . . . . 0.0 111.024 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 CA--C 1.535 0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.402 -179.462 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.4 t30 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 121.032 0.444 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 tpt -56.42 -48.78 76.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.198 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 98' ' ' TYR . 91.2 mt -64.76 -43.38 93.49 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.482 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.8 -46.81 87.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.454 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -59.31 -51.14 71.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.525 1.155 . . . . 0.0 109.989 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.404 ' CD1' ' HE1' ' A' ' 16' ' ' MET . 75.5 t90 -57.62 -60.9 2.98 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.382 -2.19 . . . . 0.0 111.241 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' THR . 6.9 m -54.25 -45.24 72.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.123 0.487 . . . . 0.0 110.798 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.599 HH12 ' CZ ' ' A' ' 18' ' ' ARG . 69.3 ttp85 -61.92 -51.07 69.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.694 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.27 26.91 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.289 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.404 ' HE1' ' CD1' ' A' ' 12' ' ' TRP . 13.9 mtm -112.69 -3.6 14.23 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.652 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.525 ' O ' HG22 ' A' ' 17' ' ' THR . 95.3 m -113.98 -6.7 13.15 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.599 ' CZ ' HH12 ' A' ' 14' ' ' ARG . 38.5 ttm180 -63.69 -59.9 3.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -45.05 -20.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.644 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.469 ' N ' ' C ' ' A' ' 18' ' ' ARG . 12.2 m-85 -90.27 104.24 16.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.816 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.617 ' C ' ' H ' ' A' ' 23' ' ' VAL . 80.3 mm-40 -72.17 178.7 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.769 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.552 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 26.2 t-80 63.59 -4.43 0.33 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.617 ' H ' ' C ' ' A' ' 21' ' ' GLU . 58.4 t -128.6 129.86 68.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.939 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -143.44 108.89 5.06 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.642 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 mt -76.52 97.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -109.59 -12.05 14.71 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.754 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 22.2 t-20 -170.17 -178.13 2.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.348 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 64.0 m-85 -99.74 -9.76 22.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.136 0.493 . . . . 0.0 110.344 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 t -107.77 -69.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -58.39 -45.57 88.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.069 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -72.31 1.26 8.09 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.973 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.418 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 32.8 m95 -113.54 -8.58 13.33 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.699 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -54.84 -23.3 17.77 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.666 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 36' ' ' MET . 79.5 p -77.89 -21.08 51.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 75.87 -8.92 19.53 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 -178.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.476 ' H ' ' C ' ' A' ' 34' ' ' SER . 4.8 mmt -65.28 -29.19 69.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.517 -0.842 . . . . 0.0 110.458 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -52.32 65.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.409 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CZ ' ' CD1' ' A' ' 81' ' ' LEU . 27.4 m-85 -57.06 -44.09 82.69 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.972 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.47 ' SG ' ' CG ' ' A' ' 63' ' ' ASN . 3.5 m -71.03 -44.63 65.44 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.46 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.75 95.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.484 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.32 -42.75 99.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.594 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.0 mm -67.76 -42.78 86.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.355 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 29.9 t-80 -57.41 -13.7 3.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.28 -178.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -74.58 -39.27 62.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.802 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.84 -19.35 18.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.71 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CD1' HD13 ' A' ' 74' ' ' LEU . 98.1 m-85 -126.24 99.07 31.55 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.476 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.06 -37.84 1.82 Allowed 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.929 1.753 . . . . 0.0 111.763 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.65 -7.26 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.5 -76.36 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.955 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.509 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 7.3 p90 -168.26 162.11 12.54 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.663 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.87 90.15 6.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.451 ' HA ' HD12 ' A' ' 55' ' ' LEU . 44.6 t80 -58.61 -21.03 52.33 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.06 -13.48 59.27 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.452 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -93.4 -15.39 25.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 52' ' ' TYR . 85.2 mt -76.38 150.78 36.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.61 170.05 8.68 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.165 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -75.05 -11.79 21.4 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.275 1.983 . . . . 0.0 110.171 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.82 -8.38 58.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.931 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -112.15 49.77 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.264 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.4 mtm-85 -69.99 -51.42 32.63 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' HG21 ' A' ' 87' ' ' VAL . 79.1 mtp85 -52.42 -45.04 65.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.335 0.588 . . . . 0.0 110.25 -178.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -66.69 -36.17 81.89 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.47 ' CG ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 t-20 -62.45 -42.75 99.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.455 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.1 m-85 -67.43 -54.26 21.87 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.81 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.0 m -56.37 -44.41 80.14 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.371 -0.532 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.442 HD21 ' CG ' ' A' ' 50' ' ' PHE . 58.2 tp -61.34 -46.01 92.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.236 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.74 89.31 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.138 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 40.2 m-85 -80.39 -48.08 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.985 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -61.93 -29.09 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.009 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 28.8 m -79.03 -45.93 19.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.254 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.77 81.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.006 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 76' ' ' ASP . 95.7 mt-10 -72.18 -47.36 51.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.245 0.545 . . . . 0.0 110.841 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.76 -41.98 98.38 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.838 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.509 HD13 ' CD1' ' A' ' 46' ' ' PHE . 94.1 mt -78.37 -40.21 36.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.19 7.73 5.05 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 72' ' ' GLU . 89.0 m-20 45.6 38.96 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.015 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.476 ' O ' ' O ' ' A' ' 76' ' ' ASP . 15.1 p -47.72 -166.39 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.648 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.15 169.8 13.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.443 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -126.15 68.98 1.2 Allowed 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mt -101.94 -22.6 14.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.399 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.414 ' CD1' ' CZ ' ' A' ' 38' ' ' PHE . 22.2 mt -113.49 137.05 52.1 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.181 0.515 . . . . 0.0 112.024 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.65 128.54 56.42 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.064 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 87' ' ' VAL . 94.0 t -47.76 -52.43 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.865 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -54.61 -45.92 73.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.399 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.22 -42.94 99.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.996 0.427 . . . . 0.0 110.391 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.455 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.6 mtp -61.47 -42.53 98.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.501 0.667 . . . . 0.0 110.082 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 83' ' ' VAL . 68.9 t -63.22 -43.81 98.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.213 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -73.28 -47.82 39.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.793 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 54.6 mt -53.02 -62.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 71.63 17.8 5.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 -177.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 90' ' ' ALA . 55.1 t -163.77 91.98 1.1 Allowed Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.31 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -70.73 176.37 7.59 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.88 1.72 . . . . 0.0 111.747 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 97.1 m-20 -113.68 128.5 56.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.192 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.3 m -50.35 -33.9 22.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.221 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -68.29 -42.39 79.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.827 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 1.7 p -65.41 -46.92 78.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.604 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.642 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 94.5 t -62.86 -45.14 99.6 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CE2' HD12 ' A' ' 9' ' ' LEU . 19.1 t80 -61.1 -51.21 70.08 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.165 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 18.8 m -57.86 -42.66 84.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.854 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.09 -50.22 74.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.448 0.642 . . . . 0.0 110.159 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.9 mm -61.02 -41.04 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -51.96 -60.86 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.752 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 99' ' ' THR . 4.7 mp0 -58.67 -45.42 89.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.753 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.74 -45.35 92.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.772 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -53.02 -46.88 68.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.784 0.802 . . . . 0.0 109.412 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.13 -42.48 98.62 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.866 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.3 p -60.2 -36.92 78.74 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.938 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HB3' HG23 ' A' ' 114' ' ' VAL . 95.7 mt -64.22 -41.37 97.06 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.118 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.75 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -53.53 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -55.3 -19.22 7.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.241 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.23 20.69 71.96 Favored Glycine 0 N--CA 1.462 0.375 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.77 -46.79 28.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.375 -0.912 . . . . 0.0 111.143 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 108' ' ' LEU . 2.3 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.819 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.5 m120 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.4 tpt -60.71 -48.41 81.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.397 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 98' ' ' TYR . 94.8 mt -65.7 -40.57 92.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.283 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 10' ' ' LEU . 39.8 tp -62.47 -49.36 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.808 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.0 -54.28 48.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.637 1.208 . . . . 0.0 110.245 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -53.73 -60.98 2.61 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.323 -2.217 . . . . 0.0 111.566 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.599 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 15.6 p -53.97 -44.49 70.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.028 0.442 . . . . 0.0 111.14 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.599 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 58.8 ttt85 -60.38 -52.01 67.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.633 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.27 -18.6 0.99 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.508 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.4 mtm -113.9 -0.78 14.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.911 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -103.66 -10.03 18.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.083 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -65.86 -50.58 64.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.514 0.673 . . . . 0.0 109.754 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -48.03 -27.53 2.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.696 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CD2' ' HB1' ' A' ' 40' ' ' ALA . 43.9 m-85 -87.96 150.66 23.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.659 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 22' ' ' HIS . 28.1 tt0 -114.77 167.92 10.35 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.73 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.608 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 50.1 t-80 66.17 4.06 2.96 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.436 ' H ' ' C ' ' A' ' 21' ' ' GLU . 99.0 t -126.09 128.39 71.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.18 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OG ' ' A' ' 31' ' ' SER . 66.6 t0 -143.19 108.19 4.94 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.6 mt -79.98 98.04 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -112.34 -6.48 14.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.002 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.512 HD22 ' HB3' ' A' ' 30' ' ' SER . 2.0 p30 -177.4 137.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.455 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 62.7 m-85 -60.5 -7.71 2.3 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.286 0.565 . . . . 0.0 110.672 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 27' ' ' ASN . 60.5 p -97.39 -77.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.512 ' HB3' HD22 ' A' ' 27' ' ' ASN . 6.0 t -58.27 -41.73 84.95 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 43.0 t -73.57 3.78 5.78 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.697 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 37.4 m95 -115.25 -9.53 12.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.681 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.0 m -54.28 -38.8 66.28 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.264 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -65.67 -23.81 66.87 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 81.36 -7.42 61.01 Favored Glycine 0 N--CA 1.458 0.143 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.3 mmm -61.57 -29.1 69.8 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.609 -0.795 . . . . 0.0 110.537 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.81 -50.98 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.751 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -57.87 -43.34 85.93 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.134 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 16.1 p -70.98 -45.9 63.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.031 0.443 . . . . 0.0 111.333 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.609 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -61.95 -43.6 98.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.755 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.78 -41.89 95.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.016 0.436 . . . . 0.0 111.029 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 42' ' ' ILE . 9.4 mm -64.94 -40.06 87.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.487 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -54.87 -48.44 72.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.554 -177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -33.31 1.54 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.702 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -95.38 -27.03 15.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.791 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.4 m-85 -126.93 99.87 28.38 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.485 -178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.41 -35.33 3.86 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.798 1.665 . . . . 0.0 111.757 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.96 -16.41 63.85 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.29 -73.68 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.264 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -169.93 164.52 9.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.667 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -86.47 105.44 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -63.64 -19.08 64.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.61 -22.6 34.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.671 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -85.11 -16.53 40.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.1 mt -82.96 149.26 27.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.037 0.446 . . . . 0.0 111.128 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.75 165.72 19.08 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.238 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.15 -12.88 21.22 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.189 1.926 . . . . 0.0 110.181 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.15 -9.01 59.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.17 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -113.23 55.16 0.71 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.088 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 60' ' ' ARG . 85.1 mtm-85 -70.5 -47.86 58.45 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -54.62 -47.81 72.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.294 0.568 . . . . 0.0 110.473 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -65.08 -35.01 79.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.495 HD21 ' CB ' ' A' ' 39' ' ' CYS . 9.9 t-20 -63.55 -43.55 96.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 47.9 m-85 -65.07 -54.56 28.15 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.67 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -56.32 -43.45 79.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.7 tp -62.24 -45.94 91.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.131 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.17 96.28 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.043 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -78.63 -52.08 8.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.944 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.5 p -59.75 -27.18 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.7 m -78.8 -45.03 21.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.28 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.68 78.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.004 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' A' ' 76' ' ' ASP . 96.8 mt-10 -71.34 -52.01 21.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.088 0.471 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -60.04 -40.05 88.05 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.005 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.408 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.9 mt -83.95 -36.35 23.33 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.23 2.29 5.77 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 72' ' ' GLU . 91.4 m-20 47.86 37.81 7.94 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.0 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 76' ' ' ASP . 20.1 p -47.36 -168.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.652 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.9 171.29 12.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.342 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -123.99 56.58 1.24 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.89 -25.28 19.91 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.641 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -118.36 137.5 53.06 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.142 0.496 . . . . 0.0 112.005 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -109.58 143.91 38.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.192 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 87' ' ' VAL . 76.8 t -57.59 -52.7 54.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.677 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -55.88 -45.98 78.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.178 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -62.29 -45.04 95.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.016 0.436 . . . . 0.0 110.303 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.444 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.7 mtp -60.98 -42.27 98.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.708 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 83' ' ' VAL . 62.3 t -66.75 -45.37 88.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.206 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.85 -48.07 64.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.904 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.9 mt -62.5 -53.85 48.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.085 0.469 . . . . 0.0 110.461 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 61.27 24.77 14.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 90' ' ' ALA . 52.9 t -162.51 90.12 1.33 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 113.791 -1.55 . . . . 0.0 109.535 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -73.09 -175.16 1.82 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.956 1.771 . . . . 0.0 111.353 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -119.21 131.29 55.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.319 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.5 p -48.37 -32.42 7.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.883 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -76.76 -32.65 57.87 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.381 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -67.61 -52.28 40.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.481 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.35 -43.85 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.9 t80 -59.41 -51.48 69.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.071 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.1 m -58.73 -44.25 90.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.807 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -61.01 -50.39 73.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.45 0.643 . . . . 0.0 109.957 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.2 mm -60.61 -39.69 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.897 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -52.49 -59.49 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.84 -45.88 91.04 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.627 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 41.1 tp -61.06 -44.29 97.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.785 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 90.0 t80 -54.42 -48.25 71.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.629 0.728 . . . . 0.0 109.741 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.8 mtp-105 -60.57 -42.9 97.59 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.023 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.6 m -57.96 -41.1 82.18 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.868 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.402 ' HB3' HG23 ' A' ' 114' ' ' VAL . 95.6 mt -62.27 -41.11 98.18 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.96 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.12 -46.57 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.759 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.56 -48.23 81.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.9 -14.57 54.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.43 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.08 21.89 79.0 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.5 mt -72.35 -46.27 56.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.459 -0.87 . . . . 0.0 110.961 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.402 HG23 ' HB3' ' A' ' 108' ' ' LEU . 3.3 t . . . . . 0 N--CA 1.465 0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.313 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 . . . . . 0 N--CA 1.455 -0.194 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -61.08 -43.76 98.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.3 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.78 -45.01 91.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.74 -45.84 92.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.11 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.24 -53.04 62.37 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 122.485 1.136 . . . . 0.0 109.8 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -54.17 -59.23 4.94 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 112.749 -2.023 . . . . 0.0 111.283 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' THR . 10.0 t -55.75 -40.59 72.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.114 0.483 . . . . 0.0 110.972 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -61.36 -45.13 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.551 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -28.38 61.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.848 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.67 -7.67 13.83 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.837 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' THR . 52.2 m -99.46 -11.34 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.634 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -69.54 -46.08 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 109.105 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 47.0 p-10 -48.12 -25.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.949 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 59.3 m-85 -96.34 104.48 16.45 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 23' ' ' VAL . 13.9 pt-20 -66.63 179.6 1.02 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.321 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.58 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 45.8 t-80 62.17 -0.23 0.5 Allowed 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.541 ' H ' ' C ' ' A' ' 21' ' ' GLU . 49.0 t -128.29 129.17 69.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.012 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -144.85 109.48 4.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.536 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.415 HD11 ' SG ' ' A' ' 13' ' ' CYS . 83.9 mt -72.93 101.46 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -105.44 -33.3 8.19 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.048 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' H ' ' HB3' ' A' ' 31' ' ' SER . 78.3 m-20 -158.98 144.34 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.896 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.472 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 43.9 m-85 -61.44 -8.17 3.83 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.832 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -99.09 -76.82 0.53 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.6 p -60.99 -37.67 83.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.429 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.483 ' HG ' ' HD1' ' A' ' 32' ' ' TRP . 1.1 p -72.94 -0.11 12.74 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.075 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.483 ' HD1' ' HG ' ' A' ' 31' ' ' SER . 37.6 m95 -115.54 -8.62 12.13 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.374 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 t -58.5 -17.2 19.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.434 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 36' ' ' MET . 54.2 p -86.03 -21.6 27.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.542 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.9 -11.51 27.63 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.434 ' H ' ' C ' ' A' ' 34' ' ' SER . 24.4 mmm -61.99 -32.6 73.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.691 -0.755 . . . . 0.0 110.214 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.23 -51.7 62.38 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.853 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.47 -45.31 84.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.722 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 14.9 p -69.71 -45.04 69.13 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.632 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.573 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.34 -42.15 99.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 tp -64.04 -42.54 97.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.743 0.306 . . . . 0.0 110.97 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 42' ' ' ILE . 28.2 mm -65.16 -42.9 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.602 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 39.9 t-80 -57.03 -41.02 77.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -37.93 29.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.853 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -88.97 -26.83 21.29 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.455 ' CG ' HD13 ' A' ' 74' ' ' LEU . 44.0 m-85 -128.66 97.28 27.88 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.55 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.6 Cg_endo -75.06 -38.9 1.36 Allowed 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.074 1.849 . . . . 0.0 112.05 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -66.78 -0.87 3.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.515 0.674 . . . . 0.0 109.378 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -64.12 -64.82 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.306 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.485 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 13.1 p90 -171.38 163.12 6.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.026 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -86.62 94.04 9.36 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.411 ' HA ' HD12 ' A' ' 55' ' ' LEU . 34.9 t80 -56.67 -23.21 40.11 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.92 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.31 -17.01 53.31 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.22 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -86.19 -18.0 33.36 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.073 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 52' ' ' TYR . 72.0 mt -68.9 -173.48 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.998 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.33 164.93 19.7 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.73 -13.12 20.03 Favored 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 121.648 1.565 . . . . 0.0 109.961 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.82 -9.0 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.387 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -116.05 45.2 1.79 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.106 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -64.88 -47.03 79.33 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -52.33 -46.42 66.05 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.314 0.578 . . . . 0.0 110.055 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -67.55 -34.58 77.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.233 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 49.0 t30 -61.42 -42.67 99.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.978 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 55.5 m-85 -66.83 -55.71 13.64 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.534 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.408 ' OG1' HG21 ' A' ' 83' ' ' VAL . 17.3 m -53.83 -42.55 68.59 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 70' ' ' THR . 65.5 tp -60.95 -48.83 80.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.58 81.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.294 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -79.21 -46.74 17.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.0 t -63.34 -29.73 70.99 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.046 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 21.2 m -76.25 -47.69 22.93 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.25 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.7 -34.91 78.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.9 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 93.1 mt-10 -71.78 -49.71 36.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 111.002 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.83 -41.11 95.14 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.961 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.455 HD13 ' CG ' ' A' ' 46' ' ' PHE . 94.8 mt -79.93 -43.69 21.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.45 8.31 7.74 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 29.3 t0 45.99 40.14 6.57 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.675 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.9 t -50.95 -164.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.539 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.58 170.77 10.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.487 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -128.32 41.33 3.51 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.759 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.34 -26.68 66.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.525 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mt -117.27 140.77 49.13 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.276 0.56 . . . . 0.0 111.828 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -108.72 142.77 38.75 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.255 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.431 ' O ' HG23 ' A' ' 87' ' ' VAL . 75.3 t -59.06 -52.03 65.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.644 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 4.1 p-10 -55.05 -46.3 75.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.056 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.64 -43.25 99.2 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.636 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.509 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.6 mtp -62.63 -41.63 99.13 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' VAL . 77.9 t -67.4 -43.21 87.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.072 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.74 -46.54 52.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.731 0.301 . . . . 0.0 111.522 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.65 -52.15 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.457 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.09 24.5 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -177.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 90' ' ' ALA . 70.2 t -162.13 88.68 1.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 113.767 -1.56 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.46 -167.36 0.33 Allowed 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.821 1.681 . . . . 0.0 111.327 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -128.05 132.84 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.091 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.4 t -49.46 -32.03 11.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.907 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -77.91 -32.66 51.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.78 0.324 . . . . 0.0 110.533 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.5 m -68.01 -52.69 32.74 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.312 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.62 -43.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 19.0 t80 -57.86 -50.7 72.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.281 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.9 m -58.23 -44.39 88.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.893 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.61 -49.64 74.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.289 0.566 . . . . 0.0 109.935 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.7 mm -60.32 -41.01 85.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.892 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.56 -62.29 1.68 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.305 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -57.88 -46.97 84.09 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.22 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.37 -45.36 93.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.69 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.34 -49.24 70.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.495 0.664 . . . . 0.0 109.832 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -58.49 -43.89 89.2 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.878 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.6 m -57.31 -39.36 75.62 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.826 0.346 . . . . 0.0 110.293 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.65 -41.41 98.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.29 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.79 -46.1 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.93 -49.09 76.15 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.346 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.19 -18.02 56.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.174 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.77 20.83 75.76 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 40.3 mt -74.38 -44.38 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.979 0.419 . . . . 0.0 110.945 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.467 0.414 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.158 -179.373 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 7' ' ' ASN . 1.2 m120 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 tpt -61.92 -47.24 85.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.515 HD12 ' CE2' ' A' ' 98' ' ' TYR . 92.1 mt -67.06 -40.94 87.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.34 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.19 -48.22 82.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.551 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.93 -52.26 66.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.555 1.169 . . . . 0.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.402 ' O ' ' CE ' ' A' ' 16' ' ' MET . 78.9 t90 -55.49 -59.98 4.06 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 112.472 -2.149 . . . . 0.0 111.533 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -54.61 -45.9 73.76 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.985 0.422 . . . . 0.0 110.706 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -58.92 -46.98 86.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.478 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -27.49 62.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.511 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.483 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.7 mpp? -104.25 0.4 29.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.733 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 17' ' ' THR . 39.5 m -103.43 -7.94 20.56 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.324 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 13.1 ptm180 -68.19 -42.53 79.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.622 0.725 . . . . 0.0 109.251 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.48 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 90.6 m-20 -52.68 -30.88 34.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.448 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' OH ' ' C ' ' A' ' 43' ' ' HIS . 81.8 m-85 -89.62 153.12 20.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.694 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 54.6 mp0 -116.94 169.81 9.11 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.476 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.649 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 32.2 t-80 64.67 3.91 2.15 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.461 ' H ' ' C ' ' A' ' 21' ' ' GLU . 85.9 t -123.1 126.82 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.248 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -139.96 105.75 5.16 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.659 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.2 mt -85.65 89.89 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -104.94 1.24 28.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.862 178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 28' ' ' PHE . 13.4 t-20 -170.08 179.29 3.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.246 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.424 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 54.5 m-85 -104.43 -10.43 17.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.949 0.404 . . . . 0.0 110.452 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 30' ' ' SER . 95.6 p -102.41 -69.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' ' OG ' ' A' ' 29' ' ' SER . 36.8 t -59.3 -40.9 87.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.645 -177.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -75.91 4.41 8.25 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.439 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.406 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 41.8 m95 -116.66 -11.24 11.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.748 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.437 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 67.3 m -55.5 -36.82 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.2 -178.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -69.54 -25.95 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 82.5 -8.56 61.42 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 108.756 -1.737 . . . . 0.0 108.756 -177.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.9 mmm -60.72 -29.86 69.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.609 -0.796 . . . . 0.0 110.269 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.71 -50.43 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.917 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.58 -43.74 84.81 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.26 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 19.4 p -72.89 -45.52 57.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 111.224 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.59 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.43 -42.72 99.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.634 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.61 -45.25 93.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.61 -42.92 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.746 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.419 ' C ' ' OH ' ' A' ' 20' ' ' TYR . 42.4 t-80 -57.51 -8.55 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HZ3' ' HG3' ' A' ' 16' ' ' MET . 0.2 OUTLIER -78.6 -37.41 42.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.536 -179.113 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -98.95 -17.7 18.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.255 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.444 ' CD1' HD13 ' A' ' 74' ' ' LEU . 98.6 m-85 -126.58 98.63 31.36 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.35 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -74.77 -37.57 2.13 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.844 1.696 . . . . 0.0 111.835 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.13 -0.07 5.41 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -60.12 -77.49 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.537 -1.211 . . . . 0.0 111.956 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CG ' HD21 ' A' ' 66' ' ' LEU . 8.1 p90 -166.65 159.96 14.57 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.545 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -81.81 92.6 6.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.512 ' HD1' ' HG ' ' A' ' 39' ' ' CYS . 64.5 t80 -56.08 -22.04 25.56 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.0 -22.79 36.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -81.05 -22.67 39.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -81.07 153.84 27.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.046 0.45 . . . . 0.0 111.22 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.12 169.11 9.51 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.291 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.32 -14.87 20.33 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.171 1.914 . . . . 0.0 110.176 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.14 -43.5 78.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.272 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -84.55 69.48 10.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.365 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 33' ' ' SER . 81.3 mtp180 -75.83 -51.21 13.07 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -50.67 -46.76 58.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.783 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -67.03 -36.57 82.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.731 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 18.2 t-20 -61.89 -43.83 98.04 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.048 0.451 . . . . 0.0 110.662 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.487 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 45.6 m-85 -68.92 -54.08 17.48 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.788 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.491 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.5 m -52.72 -43.15 65.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 50' ' ' PHE . 62.5 tp -59.81 -47.77 84.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.987 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -37.87 84.47 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.04 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -78.81 -53.05 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -60.94 -27.89 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.9 m -77.8 -45.33 24.79 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.265 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.71 78.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.972 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 96.6 mt-10 -73.8 -50.64 19.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.159 0.504 . . . . 0.0 111.002 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -58.74 -43.15 90.17 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.001 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.9 mt -77.73 -45.98 23.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.69 7.19 9.42 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 61.8 t0 45.77 38.78 4.57 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.865 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.25 -163.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.509 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.63 170.64 12.35 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.353 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -138.75 41.03 2.17 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.068 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 mt -65.63 -19.23 65.83 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.224 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mt -113.36 146.74 38.97 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.204 0.526 . . . . 0.0 112.174 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -114.53 141.77 47.28 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.161 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.491 HG21 ' OG1' ' A' ' 65' ' ' THR . 67.1 t -56.3 -52.43 51.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.274 -178.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -55.22 -46.28 75.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.037 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.13 -44.6 95.14 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.47 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 6.1 mtp -61.99 -44.83 95.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.336 0.589 . . . . 0.0 109.656 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.65 -42.29 80.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.969 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -70.03 -48.04 59.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.711 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.2 -50.78 64.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.184 0.516 . . . . 0.0 110.375 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 57.73 28.24 15.57 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 91' ' ' VAL . 79.7 t -162.71 60.66 1.04 Allowed Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.751 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.495 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.3 Cg_endo -46.42 -176.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.979 1.786 . . . . 0.0 111.144 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -118.25 130.18 55.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.425 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 t -49.53 -32.96 13.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.782 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.09 -36.12 61.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.5 m -65.38 -51.31 61.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.514 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.35 -43.6 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.515 ' CE2' HD12 ' A' ' 9' ' ' LEU . 29.2 t80 -58.85 -50.59 73.41 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.037 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 m -57.93 -44.78 87.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.015 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.9 -49.83 75.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.433 0.635 . . . . 0.0 110.105 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.438 ' CG2' HD22 ' A' ' 9' ' ' LEU . 7.3 mm -60.2 -40.83 84.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.933 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -52.4 -59.49 4.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.759 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.1 -45.75 90.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.5 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.38 -47.63 83.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.782 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -51.95 -47.15 64.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.782 0.801 . . . . 0.0 109.547 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.47 -39.45 90.94 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.094 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 52.2 m -59.27 -39.79 84.0 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.012 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 40.3 mt -67.26 -37.51 83.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.96 -47.9 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -65.41 -49.16 70.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -55.59 -29.84 59.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.149 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.99 18.52 55.85 Favored Glycine 0 N--CA 1.463 0.496 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.44 -44.85 64.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.521 -0.839 . . . . 0.0 111.107 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.4 t . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.401 -179.408 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.7 t30 . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.063 0.459 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.8 tpt -57.49 -49.96 74.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.251 -179.298 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.92 -45.19 90.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.33 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.98 -45.53 94.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.251 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -59.06 -51.06 71.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.587 1.184 . . . . 0.0 109.939 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -58.76 -62.86 1.56 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.519 -2.128 . . . . 0.0 111.291 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.4 m -52.31 -48.62 65.3 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.736 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -59.32 -51.15 71.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.552 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.88 -22.09 3.5 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.289 -179.179 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -108.31 -4.4 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.705 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 m -99.36 -8.23 25.12 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.234 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -64.54 -48.62 74.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.607 0.718 . . . . 0.0 109.588 179.159 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -51.78 -27.92 13.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.46 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -89.66 147.32 23.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.472 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 23' ' ' VAL . 96.8 mt-10 -114.4 173.65 6.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.883 -179.4 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.643 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 39.3 t-80 61.82 4.94 1.2 Allowed 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -179.517 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 21' ' ' GLU . 97.5 t -127.96 131.74 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.008 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 37.1 p-10 -145.07 109.63 4.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.687 179.221 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.3 mt -81.03 92.82 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 121.347 0.594 . . . . 0.0 112.419 -178.045 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -97.04 -21.13 17.57 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.978 178.357 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.514 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 13.4 t-20 -158.1 -174.1 4.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.207 179.237 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.514 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 65.8 m-85 -103.47 -11.66 17.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.102 0.477 . . . . 0.0 110.436 -179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.0 t -103.05 -76.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.678 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 m -59.5 -42.48 92.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.203 -178.038 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -67.6 -1.85 5.77 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.194 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 27.6 m95 -111.82 -4.19 14.69 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.369 -179.464 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.5 t -57.56 -17.4 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.592 -178.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 36' ' ' MET . 74.2 m -81.6 -19.74 41.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.265 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.504 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 74.33 -12.07 6.03 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -178.4 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.607 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 26.7 mtt -66.19 -31.8 72.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.711 -0.744 . . . . 0.0 110.591 179.123 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.41 58.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.368 -179.183 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -57.06 -45.17 83.43 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.176 -178.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 1.3 m -66.77 -45.0 79.89 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.544 -0.463 . . . . 0.0 111.408 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.22 99.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.469 -178.276 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.15 -43.67 91.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 -179.014 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.7 mm -64.97 -42.36 94.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.646 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -53.65 -47.47 70.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.389 . . . . 0.0 111.334 -178.161 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -43.54 -33.92 1.25 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.431 0.634 . . . . 0.0 110.903 -178.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -92.35 -25.59 18.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.394 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.604 ' HB3' ' HB2' ' A' ' 49' ' ' ALA . 59.0 m-85 -126.08 101.33 28.98 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.392 -177.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -78.09 -39.01 0.51 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.7 1.6 . . . . 0.0 111.626 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -68.08 -34.8 77.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.37 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 46' ' ' PHE . . . -34.16 -65.75 0.19 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.754 -179.421 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -170.03 162.1 8.93 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.455 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.79 108.94 20.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.63 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 30.8 t80 -66.16 -16.29 63.84 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.33 -20.78 39.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -16.03 51.48 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.747 -179.386 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.25 176.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.073 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -156.16 142.01 12.83 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.056 -179.445 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.82 -12.79 2.12 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 122.017 1.811 . . . . 0.0 109.906 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 56' ' ' ASP . . . -86.82 -10.22 54.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.057 -179.636 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -110.57 45.47 1.13 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.2 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -67.13 -52.24 44.21 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' A' ' 61' ' ' ARG . 17.4 mtp180 -52.26 -46.84 65.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.458 0.647 . . . . 0.0 109.689 -178.468 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -66.81 -33.43 75.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.435 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.545 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 25.4 t-20 -61.55 -41.99 98.19 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.506 -179.823 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.501 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 63.2 m-85 -69.0 -53.99 17.57 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.699 179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.5 m -56.46 -43.42 79.53 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.59 -47.47 85.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.173 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.9 90.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.063 -179.277 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 42.4 m-85 -79.62 -48.37 13.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.181 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -64.48 -27.74 69.19 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.48 HG21 ' HB1' ' A' ' 49' ' ' ALA . 69.1 m -78.36 -47.4 17.75 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.249 178.376 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.86 -34.06 77.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 82.4 tt0 -71.47 -49.24 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -63.32 -40.28 96.89 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.803 -178.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 46' ' ' PHE . 90.2 mt -84.52 -30.98 24.7 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.83 2.2 3.68 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -177.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 98.7 m-20 46.02 34.49 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.92 179.48 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.0 t -52.32 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.487 -178.684 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.411 ' HB2' ' OE1' ' A' ' 103' ' ' GLU . . . -87.78 168.67 12.74 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.337 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -132.7 42.02 3.12 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 1.6 mt -71.16 -17.41 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.369 -178.345 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.95 137.83 51.75 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.122 0.487 . . . . 0.0 111.888 -178.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -108.58 135.2 50.22 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.388 178.489 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 87' ' ' VAL . 69.8 t -51.99 -52.22 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.624 -178.809 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.55 -45.71 77.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.292 -178.456 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.72 -43.27 99.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.973 0.416 . . . . 0.0 110.293 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.501 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 6.1 mtp -62.24 -42.85 99.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.376 0.608 . . . . 0.0 110.25 179.081 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 83' ' ' VAL . 68.0 t -65.02 -42.77 95.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.97 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.36 -47.48 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.847 0.355 . . . . 0.0 111.837 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.66 -51.18 63.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.469 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 58.9 26.23 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.39 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 90' ' ' ALA . 69.5 t -162.39 90.13 1.35 Allowed Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.602 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -73.24 -170.94 0.71 Allowed 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 121.934 1.756 . . . . 0.0 111.352 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -123.15 131.48 53.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.308 179.227 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 t -51.94 -34.14 40.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.782 -178.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -71.14 -41.77 70.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.583 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.6 m -63.18 -51.01 68.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.483 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.44 -45.04 93.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.511 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 24.0 t80 -57.49 -50.47 72.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.085 179.753 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.3 m -57.8 -43.81 85.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.105 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -61.14 -50.6 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.316 0.579 . . . . 0.0 110.349 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.3 mm -60.78 -40.91 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.148 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -50.03 -63.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.411 ' OE1' ' HB2' ' A' ' 78' ' ' ALA . 75.8 tt0 -57.49 -44.27 84.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.798 -178.637 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.49 -47.53 83.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -52.58 -46.73 67.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.546 0.689 . . . . 0.0 109.451 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.04 -42.99 99.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.012 -178.468 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.539 ' OG ' ' NZ ' ' A' ' 111' ' ' LYS . 34.5 t -60.79 -41.17 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.868 179.052 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.09 -39.23 91.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.23 -46.22 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.449 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.01 -53.01 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.273 179.291 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.539 ' NZ ' ' OG ' ' A' ' 107' ' ' SER . 63.2 mttp -51.72 -28.18 14.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.333 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.51 18.18 59.1 Favored Glycine 0 N--CA 1.463 0.442 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 27.9 mt -75.14 -54.33 7.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.365 -0.917 . . . . 0.0 110.952 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.539 -179.578 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.196 0.522 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.435 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.2 tmt? -61.64 -47.97 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.357 179.56 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.4 HD22 ' CG2' ' A' ' 101' ' ' ILE . 81.5 mt -65.27 -43.69 90.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.514 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 tp -62.2 -47.28 85.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.619 -179.29 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.08 -53.91 52.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.606 1.193 . . . . 0.0 109.738 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.59 -60.61 3.18 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 112.559 -2.109 . . . . 0.0 111.274 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.9 t -52.59 -45.72 66.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.319 0.58 . . . . 0.0 110.998 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -61.14 -52.86 63.08 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.407 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.27 -17.91 0.3 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.36 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.8 mtt -113.06 -3.33 14.01 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.91 -11.16 27.11 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.179 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -67.46 -41.73 84.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.742 0.782 . . . . 0.0 109.701 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -53.08 -31.01 39.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.716 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.43 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 65.0 m-85 -107.75 106.1 16.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.033 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.595 ' C ' ' H ' ' A' ' 23' ' ' VAL . 57.0 mp0 -68.19 -172.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 -179.68 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.588 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 44.9 t-80 59.72 -0.1 0.22 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.745 0.783 . . . . 0.0 108.978 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.595 ' H ' ' C ' ' A' ' 21' ' ' GLU . 93.8 t -125.5 128.3 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.855 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -143.98 108.53 4.86 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.51 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.2 mt -79.17 97.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.351 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -111.85 -24.84 9.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.843 178.397 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' A' ' 29' ' ' SER . 18.7 t-20 -157.78 137.75 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.328 178.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 42.0 m-85 -61.42 -4.79 1.4 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.213 0.53 . . . . 0.0 110.651 -179.132 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 30' ' ' SER . 90.6 p -101.89 -74.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.522 ' N ' ' OG ' ' A' ' 29' ' ' SER . 62.0 p -58.08 -43.29 86.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.699 -177.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.1 m -72.22 1.71 7.17 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.228 -178.608 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.47 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 36.4 m95 -116.39 -8.59 11.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.762 -179.488 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.5 p -58.68 -18.97 35.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.232 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 36' ' ' MET . 88.8 p -86.42 -22.67 26.42 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.489 -179.342 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.68 -11.22 34.34 Favored Glycine 0 N--CA 1.459 0.171 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 -178.451 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.453 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.8 mmm -61.28 -30.03 70.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.496 -0.852 . . . . 0.0 110.304 179.49 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.39 -51.07 56.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.871 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.74 -41.96 78.44 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.342 -178.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 17.7 p -75.46 -43.39 49.77 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.283 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.559 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -60.19 -42.77 95.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.586 -178.658 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.64 -43.85 95.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.045 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.6 mm -66.29 -44.78 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.792 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 15.8 t-80 -56.2 -13.61 2.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.02 0.438 . . . . 0.0 111.386 -178.704 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -74.42 -39.56 62.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.464 -178.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -100.03 -15.01 18.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.85 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.52 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.6 m-85 -125.84 98.1 34.47 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.331 -178.468 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.23 -38.18 1.61 Allowed 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.755 1.637 . . . . 0.0 111.755 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.6 -9.6 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.803 0.811 . . . . 0.0 108.812 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.43 -75.47 0.04 OUTLIER 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 114.271 -1.331 . . . . 0.0 112.399 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 16.7 p90 -171.53 165.89 6.84 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.86 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 1.2 p30 -88.43 101.93 14.4 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.478 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.407 ' HA ' HD12 ' A' ' 55' ' ' LEU . 53.2 t80 -64.97 -20.25 66.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.26 -179.325 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.24 -10.32 59.79 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.792 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 2.7 tm-20 -100.32 -11.52 20.24 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.562 -179.346 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 52' ' ' TYR . 92.8 mt -80.76 152.88 28.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.962 0.411 . . . . 0.0 111.045 -179.297 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.05 162.6 40.54 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.045 -179.21 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -75.62 -9.72 19.99 Favored 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 122.31 2.007 . . . . 0.0 109.971 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.57 -9.85 59.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.089 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -112.83 55.34 0.7 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.328 -178.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -69.42 -46.35 67.01 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -53.1 -53.04 56.23 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.761 -178.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -62.71 -36.24 82.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.829 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 28.2 t-20 -62.17 -44.18 97.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.606 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.515 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 43.7 m-85 -68.8 -56.59 7.53 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.93 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.448 ' OG1' HG21 ' A' ' 83' ' ' VAL . 15.7 m -52.17 -43.05 63.93 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.731 179.506 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.439 HD21 ' CD2' ' A' ' 50' ' ' PHE . 55.4 tp -60.91 -48.88 79.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.315 -179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.08 79.67 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.205 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -79.29 -49.47 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.7 m -63.47 -29.57 70.83 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.466 HG22 HD12 ' A' ' 74' ' ' LEU . 29.0 m -75.14 -51.91 12.27 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.356 178.709 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.19 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' ASP . 15.4 tm-20 -71.37 -52.46 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.066 0.46 . . . . 0.0 110.61 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.14 -39.17 91.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.928 -178.729 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 46' ' ' PHE . 96.4 mt -78.12 -47.42 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.595 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.89 8.54 8.74 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -177.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' GLU . 99.5 m-20 45.94 38.95 5.01 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.039 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.91 -162.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.616 -178.683 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.2 170.82 10.7 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.308 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -136.99 39.74 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.02 -18.15 64.62 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.356 -178.406 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.03 145.15 42.58 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.178 0.513 . . . . 0.0 112.1 -178.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -111.43 143.7 41.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.325 178.779 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.448 HG21 ' OG1' ' A' ' 65' ' ' THR . 67.2 t -57.83 -51.81 65.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.29 -178.538 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -55.43 -46.63 76.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.195 -178.66 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -63.27 -44.38 95.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.803 0.335 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 3.5 mtp -61.91 -43.91 97.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.421 0.629 . . . . 0.0 109.897 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' VAL . 70.1 t -70.06 -41.85 79.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.127 179.109 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -71.74 -48.45 46.88 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.96 -179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.88 -54.57 40.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 61.3 19.86 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 -177.551 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 91' ' ' VAL . 95.9 t -155.37 57.7 1.69 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 113.689 -1.596 . . . . 0.0 109.998 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.8 Cg_endo -44.99 -179.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.895 1.73 . . . . 0.0 111.171 -179.519 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -113.96 129.18 56.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.974 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 m -48.78 -34.1 11.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.161 -178.486 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -73.71 -34.68 64.91 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.8 m -66.48 -51.12 60.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.614 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.6 -43.98 97.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.041 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 19.9 t80 -59.38 -51.41 70.05 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.3 m -56.73 -45.21 82.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.183 -179.575 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -62.15 -49.95 73.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.698 . . . . 0.0 110.068 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 9' ' ' LEU . 6.3 mm -59.63 -40.95 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.942 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -51.81 -60.29 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.445 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -59.44 -46.8 87.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.334 -179.187 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.8 tp -59.3 -45.48 91.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.675 -179.593 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -53.69 -48.49 69.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.53 0.681 . . . . 0.0 109.827 -179.418 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -60.91 -38.17 84.82 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.078 -178.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.7 m -59.61 -40.31 87.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.03 178.814 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.81 -36.68 80.84 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.205 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.65 -48.79 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -178.23 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 111' ' ' LYS . 12.6 pt20 -65.91 -47.97 73.0 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.51 0.671 . . . . 0.0 109.587 179.163 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 14.2 tptm -55.05 -28.88 55.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.054 -179.628 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.74 18.38 58.38 Favored Glycine 0 N--CA 1.463 0.436 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.348 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.4 mt -74.5 -43.58 55.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.226 -0.987 . . . . 0.0 110.999 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.217 -179.127 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 121.1 0.476 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.442 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -50.57 -55.45 16.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.988 -179.517 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.67 -45.2 87.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.0 -46.11 92.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.457 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.44 -53.59 56.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.551 1.167 . . . . 0.0 109.882 179.32 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.493 ' O ' ' CE ' ' A' ' 16' ' ' MET . 87.0 t90 -54.4 -62.07 1.89 Allowed 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 112.683 -2.053 . . . . 0.0 111.067 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 m -51.71 -45.2 63.48 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.973 0.416 . . . . 0.0 110.643 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.2 ttp180 -63.02 -52.35 63.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.714 0.769 . . . . 0.0 110.233 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -44.32 -15.94 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.159 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.616 ' N ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -104.03 -20.86 13.71 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.683 -179.271 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.548 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.4 p -68.55 -11.21 59.62 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.205 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 35.6 ptt-85 -63.6 -37.87 88.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.783 0.802 . . . . 0.0 109.462 179.253 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.44 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 36.1 t30 -66.69 -36.36 82.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.022 -179.838 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.526 ' O ' ' O ' ' A' ' 17' ' ' THR . 70.2 m-85 -98.65 151.92 20.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.683 -179.155 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 23' ' ' VAL . 10.7 pt-20 -117.32 176.17 5.28 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.881 -179.42 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.601 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.7 OUTLIER 59.79 9.62 1.74 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.867 0.842 . . . . 0.0 108.745 -179.501 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.415 ' H ' ' C ' ' A' ' 21' ' ' GLU . 54.1 t -122.29 131.62 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.945 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 42.1 p-10 -145.7 106.02 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.621 179.638 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.2 mt -85.11 89.97 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 112.722 -178.243 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -100.7 -13.04 18.67 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.959 178.238 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -157.51 176.44 12.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.384 179.137 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 66.6 m-85 -99.48 -6.58 27.34 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.97 0.414 . . . . 0.0 110.376 -179.749 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 m -104.24 -72.21 0.71 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -177.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 m -57.26 -43.9 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -177.745 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -72.93 2.33 7.08 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.175 -179.075 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.408 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 41.3 m95 -115.74 -10.83 11.71 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.772 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 4.8 m -62.38 -9.62 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.188 -178.918 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.5 t -91.16 -23.2 20.32 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -179.444 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.485 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.54 -15.28 7.69 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -177.822 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.501 ' H ' ' C ' ' A' ' 34' ' ' SER . 11.8 mmm -61.27 -28.23 69.03 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.656 -0.772 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.56 -49.12 43.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.682 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -45.18 90.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.005 -179.174 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 15.4 p -68.79 -46.52 68.48 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.274 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.613 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -64.77 -41.23 96.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.351 -178.651 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.36 -42.62 99.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.929 0.395 . . . . 0.0 110.964 -178.819 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.59 -39.55 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.268 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -56.84 -40.64 76.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.4 -178.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.467 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 4.3 tmtt? -53.03 -36.4 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.689 -178.131 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -89.71 -36.93 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.619 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 99.2 m-85 -115.34 73.34 3.74 Favored Pre-proline 0 C--O 1.217 -0.646 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.137 -178.15 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.69 -37.44 15.85 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 121.748 1.632 . . . . 0.0 112.043 -178.841 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -63.99 -20.89 66.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.366 0.603 . . . . 0.0 109.4 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' PHE . . . -33.39 -77.57 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.329 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -168.14 162.28 12.9 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.444 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -77.79 93.37 4.32 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -61.01 -20.74 62.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.978 -179.089 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.64 -20.02 44.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.662 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -84.38 -14.59 49.03 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.791 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.8 mt -82.19 148.45 28.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 111.03 -179.091 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' ALA . 3.5 m-20 -125.67 147.21 57.6 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.211 -179.625 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -51.34 -10.67 0.47 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.045 1.83 . . . . 0.0 109.887 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -72.46 -44.27 62.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.662 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -88.04 59.51 5.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.58 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.534 ' NH2' ' O ' ' A' ' 33' ' ' SER . 27.8 mtp85 -70.96 -52.59 18.94 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.51 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -52.44 -49.17 65.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.413 0.625 . . . . 0.0 110.231 -178.416 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -60.54 -33.68 73.02 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.82 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.542 HD22 ' CB ' ' A' ' 39' ' ' CYS . 6.4 t-20 -62.51 -41.03 98.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.339 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 52.4 m-85 -66.22 -58.71 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.63 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.504 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.9 m -51.59 -42.61 62.05 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.712 179.46 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.7 -48.18 82.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.184 -179.509 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -38.22 86.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.051 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -78.47 -48.8 14.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.074 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.8 t -63.72 -27.22 69.05 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.95 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.4 m -78.59 -45.43 21.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.354 178.401 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.48 80.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.752 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ASP . 44.3 tp10 -72.41 -49.8 31.01 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.933 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.39 -41.9 94.79 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.976 -178.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.9 mt -87.75 -40.71 13.86 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -179.09 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.98 -0.68 12.71 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.499 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 77' ' ' CYS . 98.4 m-20 49.12 34.08 5.51 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.831 179.559 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.3 t -49.07 -163.77 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.666 -178.825 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.73 174.38 7.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.331 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -127.97 40.67 3.64 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.8 -26.59 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.754 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mt -114.37 142.26 46.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.228 0.537 . . . . 0.0 112.24 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -110.96 142.66 42.77 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.171 178.75 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.504 HG21 ' OG1' ' A' ' 65' ' ' THR . 55.5 t -56.16 -52.34 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.386 -178.628 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 88' ' ' ARG . 91.9 m-20 -55.93 -46.08 78.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.182 -178.274 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.77 -44.44 96.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.856 0.36 . . . . 0.0 110.174 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.4 mtp -62.68 -44.49 96.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.379 0.609 . . . . 0.0 109.436 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.38 -40.53 77.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.83 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' ASP . 53.0 ttp180 -72.1 -48.67 42.21 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.905 0.383 . . . . 0.0 111.985 -179.628 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.82 -49.81 64.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.365 -179.079 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 57.61 25.22 11.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.553 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 91' ' ' VAL . 97.0 t -158.35 59.86 1.66 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.676 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.483 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.3 Cg_endo -46.28 -176.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 121.967 1.778 . . . . 0.0 111.226 -179.617 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -117.04 130.02 56.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.311 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -49.44 -33.19 13.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.209 -178.561 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -75.61 -33.25 60.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.63 179.157 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.3 m -67.46 -53.57 27.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.89 -44.48 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.293 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 16.6 t80 -59.03 -50.48 73.92 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.154 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.2 m -58.44 -44.28 89.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.721 -179.213 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.49 -49.67 75.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.334 0.588 . . . . 0.0 110.052 179.424 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.9 mm -61.11 -41.04 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.161 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -49.46 -63.12 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.825 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -57.87 -44.14 86.44 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.904 -178.68 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.89 -44.72 96.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -53.63 -47.74 70.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.697 0.76 . . . . 0.0 109.618 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -60.48 -42.75 96.89 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.847 -178.23 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.5 p -58.9 -38.67 79.43 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.805 179.097 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.4 -41.01 96.88 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.921 179.648 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.81 -46.46 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.245 -178.421 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -51.52 64.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.299 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -53.9 -24.44 16.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.446 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.6 19.82 65.25 Favored Glycine 0 N--CA 1.461 0.314 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.0 mt -75.03 -55.02 6.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.61 -0.795 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.532 0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.784 -179.658 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 109.867 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.0 OUTLIER -60.25 -48.53 81.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.342 -179.698 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 98' ' ' TYR . 86.5 mt -64.29 -43.07 95.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.408 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.1 tp -60.47 -48.28 82.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.493 -179.197 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.69 -55.0 40.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.568 1.175 . . . . 0.0 110.101 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -53.91 -62.24 1.78 Allowed 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.421 -2.172 . . . . 0.0 111.366 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -50.86 -36.09 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.413 0.625 . . . . 0.0 111.029 179.463 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' C ' ' H ' ' A' ' 16' ' ' MET . 35.2 ttm180 -70.83 -48.16 55.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.736 0.779 . . . . 0.0 110.563 179.296 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.533 ' O ' ' NH1' ' A' ' 18' ' ' ARG . . . -47.52 -13.43 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.477 -179.062 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.446 ' H ' ' C ' ' A' ' 14' ' ' ARG . 13.7 ptp -121.79 -0.43 9.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.045 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.516 ' OG1' HD12 ' A' ' 25' ' ' ILE . 85.8 m -85.4 -13.46 49.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.217 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.533 ' NH1' ' O ' ' A' ' 15' ' ' ALA . 79.2 mtm-85 -64.81 -34.34 78.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.411 0.624 . . . . 0.0 109.922 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.418 ' ND2' ' CE1' ' A' ' 20' ' ' TYR . 11.6 t30 -62.74 -37.72 87.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.38 -179.556 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.432 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 54.1 m-85 -104.52 94.46 5.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.597 -179.306 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' C ' ' H ' ' A' ' 23' ' ' VAL . 97.0 mt-10 -68.0 -172.48 0.3 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.494 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.3 t60 61.4 0.17 0.42 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.621 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.578 ' H ' ' C ' ' A' ' 21' ' ' GLU . 72.0 t -124.05 129.22 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.345 -179.7 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -137.04 107.33 6.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.887 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.516 HD12 ' OG1' ' A' ' 17' ' ' THR . 91.0 mt -85.09 87.46 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.412 0.625 . . . . 0.0 112.182 -178.317 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -94.0 -23.69 17.93 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.084 178.347 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -147.33 -175.7 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.819 -1.082 . . . . 0.0 108.214 178.786 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.42 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 68.3 m-85 -105.1 -7.31 19.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.072 0.463 . . . . 0.0 110.318 -179.505 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' A' ' 30' ' ' SER . 94.6 p -106.22 -68.6 0.87 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -177.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.467 ' N ' ' OG ' ' A' ' 29' ' ' SER . 77.9 p -59.56 -45.21 92.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.541 -177.801 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.8 m -74.16 6.19 3.73 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.315 -178.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.8 m95 -116.33 -8.46 11.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.714 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.5 m -55.52 -39.07 70.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.228 -179.011 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -64.12 -26.61 68.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.49 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 81.15 -10.94 45.83 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 108.774 -1.73 . . . . 0.0 108.774 -178.064 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.421 ' H ' ' C ' ' A' ' 34' ' ' SER . 48.4 mmm -62.23 -27.23 68.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.605 -0.797 . . . . 0.0 110.282 179.273 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.08 -50.27 56.09 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 -179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.22 -44.99 88.45 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.061 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 4.6 m -66.55 -47.23 73.51 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.044 -179.678 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -61.5 -42.08 98.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.409 -178.401 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD1' ' SD ' ' A' ' 16' ' ' MET . 53.6 tp -61.95 -43.0 99.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -178.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.2 mm -66.93 -42.76 89.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.542 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 32.8 t-80 -56.19 -12.67 1.64 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.275 -178.494 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -79.33 -38.03 36.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.633 -179.588 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.4 m-85 -82.57 -41.95 18.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.972 -178.251 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.534 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 20.0 m-85 -122.77 74.91 46.59 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.436 -178.135 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.0 Cg_endo -46.2 -34.78 14.14 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.906 1.737 . . . . 0.0 111.423 -179.094 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.83 -4.78 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.568 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -52.96 -70.57 0.09 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.612 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.504 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 5.3 p90 -169.92 164.95 9.7 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.614 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -82.85 94.76 7.75 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.686 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -61.87 -21.96 65.13 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 120.967 0.413 . . . . 0.0 111.169 -179.001 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.53 -14.39 58.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.66 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -92.21 -14.3 29.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.4 mt -84.33 151.58 24.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 110.95 -179.27 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.73 162.37 35.05 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.398 -179.35 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -74.82 -12.39 21.91 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 122.197 1.932 . . . . 0.0 110.019 179.168 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.78 -44.87 72.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.305 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -87.7 68.85 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.432 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -73.51 -46.07 50.09 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -51.81 -47.46 64.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.144 0.497 . . . . 0.0 110.542 -178.48 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -66.4 -36.71 83.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.756 179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 18.6 t-20 -61.63 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.144 0.497 . . . . 0.0 110.627 -179.378 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.576 ' HB2' HG13 ' A' ' 83' ' ' VAL . 48.2 m-85 -68.32 -55.18 12.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.707 179.274 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.7 m -52.64 -42.64 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.387 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.11 -49.89 75.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.007 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.61 -38.17 77.44 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.876 -178.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -80.5 -49.94 10.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.041 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.9 p -62.16 -31.1 71.56 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.782 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.9 m -76.0 -48.73 19.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.355 178.43 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -64.47 -32.74 74.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 76' ' ' ASP . 84.7 tt0 -70.47 -51.62 27.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.058 0.456 . . . . 0.0 110.62 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.44 -38.98 82.11 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.829 -178.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.418 HD13 ' CG ' ' A' ' 46' ' ' PHE . 85.7 mt -77.41 -49.06 15.65 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.19 8.7 9.18 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.78 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' A' ' 72' ' ' GLU . 98.8 m-20 47.4 40.14 10.38 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.034 179.305 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.542 ' SG ' ' CD1' ' A' ' 104' ' ' LEU . 62.3 m -48.0 -169.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.472 -178.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.72 170.9 13.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.33 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -126.64 35.39 4.64 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.1 -26.67 66.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.341 -178.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.94 145.94 37.47 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.284 0.564 . . . . 0.0 112.079 -178.572 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -116.41 135.68 53.64 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.3 179.09 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' A' ' 64' ' ' PHE . 70.5 t -52.14 -53.71 17.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.529 -178.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.64 -45.08 73.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.004 -178.505 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.84 -45.4 94.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.905 0.383 . . . . 0.0 110.087 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.409 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 13.9 mtp -61.85 -45.69 92.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.325 0.583 . . . . 0.0 109.941 179.123 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.51 -42.21 86.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.841 179.225 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -71.24 -48.6 50.22 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.611 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 91.4 mt -67.55 -49.27 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.275 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 56.69 29.91 16.62 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -177.353 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 91' ' ' VAL . 78.2 t -162.89 61.41 1.1 Allowed Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 113.582 -1.645 . . . . 0.0 109.931 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.4 Cg_endo -45.8 -177.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 121.871 1.714 . . . . 0.0 111.229 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 96' ' ' CYS . 27.7 t0 -120.61 131.59 54.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.446 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.7 m -45.97 -32.71 2.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.041 -178.764 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.638 ' O ' HG22 ' A' ' 99' ' ' THR . 11.6 ptmm? -79.49 -27.81 41.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.338 179.463 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 93' ' ' ASP . 9.7 m -72.34 -41.64 66.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.451 0.643 . . . . 0.0 110.537 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.73 -43.09 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.107 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 22.0 t80 -62.07 -52.73 62.73 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.577 -178.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 95' ' ' LYS . 14.9 t -59.19 -42.2 90.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.3 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.494 ' N ' HG23 ' A' ' 99' ' ' THR . 62.5 t80 -62.53 -50.9 69.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.488 0.661 . . . . 0.0 110.079 179.091 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.0 mm -60.04 -37.5 72.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.057 179.754 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -53.38 -59.22 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.691 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -59.44 -46.85 87.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.498 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.542 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 14.1 tp -61.39 -44.51 97.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.705 -179.86 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' ILE . 91.7 t80 -53.82 -48.35 69.98 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.49 0.662 . . . . 0.0 109.678 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -61.02 -38.76 87.24 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.937 -178.634 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 t -59.18 -40.51 85.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.636 178.75 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.6 mt -67.75 -38.11 83.04 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.075 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.69 -49.09 85.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.929 -177.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -64.15 -43.73 94.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.327 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -61.88 -25.78 67.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.37 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.74 20.07 58.71 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.393 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.1 mt -75.98 -38.52 57.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.367 -0.916 . . . . 0.0 110.941 179.071 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 CA--C 1.532 0.257 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.541 -178.679 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.6 tmt? -59.51 -46.04 89.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.467 HD12 ' CE2' ' A' ' 98' ' ' TYR . 96.6 mt -62.69 -45.16 94.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.27 -47.31 86.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.509 -179.182 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -59.15 -53.43 58.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.44 1.114 . . . . 0.0 110.216 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 83.4 t90 -52.95 -59.74 4.15 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 112.541 -2.118 . . . . 0.0 111.111 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' THR . 5.1 t -54.2 -43.77 71.04 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.943 179.164 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -60.0 -35.03 74.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.243 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 12' ' ' TRP . . . -65.87 -29.03 69.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.774 -178.57 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.41 ' H ' ' HG2' ' A' ' 16' ' ' MET . 12.4 ptp -116.08 -2.55 12.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -178.188 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' CYS . 61.1 m -99.31 -13.13 19.78 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.971 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' TYR . 72.0 ttt180 -68.0 -45.75 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 109.674 179.155 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -40.71 -25.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.871 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ARG . 64.1 m-85 -104.36 101.32 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.758 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.583 ' C ' ' H ' ' A' ' 23' ' ' VAL . 18.3 pt-20 -66.43 -175.94 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.71 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.639 ' NE2' ' SD ' ' A' ' 36' ' ' MET . 0.9 OUTLIER 61.49 -0.76 0.36 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.729 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.583 ' H ' ' C ' ' A' ' 21' ' ' GLU . 70.0 t -125.66 128.82 72.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.47 -179.797 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 99.6 m-20 -141.83 110.47 6.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.879 179.723 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.5 mt -76.96 104.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.521 0.676 . . . . 0.0 112.723 -178.545 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.412 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 63.6 tt0 -104.5 -31.11 9.62 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.874 178.579 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 26' ' ' GLN . 93.3 m-20 -151.15 -172.22 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.234 178.683 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.405 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 68.3 m-85 -101.81 -4.96 25.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.167 0.508 . . . . 0.0 110.393 -179.572 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -109.63 -65.08 1.18 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.085 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -60.78 -45.68 93.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.462 -178.319 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -74.86 4.98 5.55 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.859 -178.716 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.405 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 35.9 m95 -115.73 -7.8 12.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.748 -179.435 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.5 p -54.87 -33.63 62.08 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.345 -178.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 36' ' ' MET . 78.3 p -66.79 -26.26 66.87 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.403 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 75.67 -12.68 7.78 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 -178.047 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.639 ' SD ' ' NE2' ' A' ' 22' ' ' HIS . 86.7 mtp -68.82 -20.43 64.31 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.59 -0.805 . . . . 0.0 110.181 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.55 -49.82 56.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.261 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -40.54 71.73 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.789 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 17.0 m -70.22 -44.39 68.71 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.084 -179.103 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.82 99.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.501 -178.476 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.22 -41.22 98.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.503 ' C ' ' H ' ' A' ' 44' ' ' LYS . 3.2 mm -69.13 -43.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.584 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 16.2 t-80 -50.39 -8.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.4 -178.102 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -87.32 -33.41 19.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.987 -179.837 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -87.97 -32.15 19.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.854 -178.261 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.515 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 13.7 m-85 -136.72 67.49 58.16 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.35 -178.321 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.1 Cg_endo -45.29 -34.35 9.95 Favored 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 121.983 1.789 . . . . 0.0 111.562 -179.267 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.17 -2.44 2.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -60.19 -66.35 0.54 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.854 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.433 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 5.7 p90 -167.59 162.01 13.98 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.59 179.627 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -82.88 93.19 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.593 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.28 -23.8 50.74 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 -179.229 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.28 -14.27 59.13 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.621 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -92.13 -17.86 24.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.804 -179.286 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.33 151.88 26.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.071 0.462 . . . . 0.0 111.142 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.95 164.1 24.21 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.353 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -74.87 -13.54 21.7 Favored 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 122.085 1.857 . . . . 0.0 110.136 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.73 -46.44 65.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.279 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -85.26 50.34 1.93 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.194 -179.082 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -62.94 -42.58 99.85 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.403 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -51.86 -49.33 63.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.432 0.634 . . . . 0.0 110.507 -178.807 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -66.1 -34.41 77.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.687 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.444 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 3.5 t-20 -61.57 -42.74 99.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.528 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 39.8 m-85 -65.73 -57.75 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.368 179.344 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.443 ' OG1' HG21 ' A' ' 83' ' ' VAL . 13.9 m -52.37 -43.31 64.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.476 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.15 -50.67 73.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.129 -179.295 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 -39.06 76.5 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.944 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -79.57 -47.03 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.054 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 t -61.12 -29.19 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.798 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.9 m -80.1 -46.55 16.28 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.154 178.313 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.44 83.82 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 76' ' ' ASP . 85.2 tt0 -72.32 -50.93 23.2 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.697 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -58.02 -40.7 81.45 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.691 -0.803 . . . . 0.0 110.769 -178.806 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.425 HD13 ' CG ' ' A' ' 46' ' ' PHE . 99.5 mt -81.05 -51.69 8.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.926 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.93 4.86 15.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 72' ' ' GLU . 72.2 m-20 47.9 40.04 12.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 119.824 -0.751 . . . . 0.0 110.048 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.3 t -47.76 -171.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.646 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.57 171.87 12.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.326 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -125.22 69.51 1.14 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 mt -102.44 -26.33 13.3 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.629 -178.794 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -109.09 142.26 40.08 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.299 0.571 . . . . 0.0 112.035 -178.423 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -116.98 128.39 55.14 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.02 178.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.443 HG21 ' OG1' ' A' ' 65' ' ' THR . 69.9 t -44.68 -55.84 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.761 -179.065 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 88' ' ' ARG . 96.8 m-20 -53.48 -46.41 69.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.396 -178.269 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -62.38 -45.03 94.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.01 0.433 . . . . 0.0 110.117 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 14.8 mtp -61.04 -46.23 91.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.46 0.648 . . . . 0.0 110.004 179.575 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.31 -41.94 78.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.093 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HG3' HH11 ' A' ' 88' ' ' ARG . 54.4 ttm-85 -69.56 -47.29 64.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.773 0.321 . . . . 0.0 111.794 -179.311 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 87.2 mt -64.31 -52.14 59.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.078 0.466 . . . . 0.0 110.337 -179.411 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 64.14 24.76 13.54 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.152 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 91' ' ' VAL . 73.6 t -162.49 59.88 0.98 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 113.822 -1.535 . . . . 0.0 109.644 -179.638 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.479 ' O ' ' O ' ' A' ' 91' ' ' VAL . 3.1 Cg_exo -43.83 175.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 121.909 1.739 . . . . 0.0 111.339 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 91.4 m-20 -111.05 126.21 54.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.228 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.3 p -50.85 -31.94 18.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.09 -178.793 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -69.11 -42.43 76.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.37 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.628 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 2.4 p -65.78 -46.74 77.61 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.783 -179.25 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.628 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 91.1 t -63.12 -46.36 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CE2' HD12 ' A' ' 9' ' ' LEU . 21.1 t80 -58.67 -50.21 74.7 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.981 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 m -58.42 -42.7 87.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.986 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -62.55 -52.01 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.445 0.641 . . . . 0.0 110.446 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' TYR . 27.6 mm -59.36 -39.83 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.201 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -52.98 -59.18 4.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.741 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -60.36 -47.86 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.591 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.15 -45.34 93.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.767 -179.541 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' ILE . 84.0 t80 -54.32 -48.36 71.43 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.667 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -60.15 -43.2 95.93 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.777 -1.102 . . . . 0.0 111.106 -178.744 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.8 m -56.44 -41.6 76.7 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.738 178.873 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.99 -39.79 94.93 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.34 -47.03 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.438 -178.478 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.51 -45.35 93.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.253 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -65.86 -15.23 62.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.332 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.61 23.53 76.63 Favored Glycine 0 N--CA 1.463 0.497 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.22 -49.43 27.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.001 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.531 0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.149 -178.546 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.08 0.467 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 tpt -56.32 -48.11 77.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.423 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.97 -46.2 85.67 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.431 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.99 -46.59 88.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.671 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 37.3 tt0 -57.65 -46.85 83.66 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.563 1.173 . . . . 0.0 109.913 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -67.31 -65.04 0.74 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.326 -2.215 . . . . 0.0 111.159 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 m -50.83 -50.66 56.09 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -59.99 -48.81 80.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.501 -179.445 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 11' ' ' GLU . . . -55.06 -38.48 68.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.628 -179.002 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.469 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.2 mpp? -89.09 -0.73 57.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.687 -179.483 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 17' ' ' THR . 87.4 m -103.81 -5.77 22.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.325 -179.474 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -65.72 -46.21 79.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.715 0.769 . . . . 0.0 109.86 178.414 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -51.33 -30.0 17.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.995 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 64.6 m-85 -97.43 99.43 10.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.115 -179.453 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.58 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.96 -177.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.407 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.685 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 19.2 t-80 62.38 -1.02 0.45 Allowed 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.867 0.842 . . . . 0.0 108.796 -179.589 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.58 ' H ' ' C ' ' A' ' 21' ' ' GLU . 64.6 t -128.53 131.39 68.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.9 -179.657 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -146.82 110.63 4.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.716 179.23 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -82.96 94.83 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.923 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -93.36 -24.78 17.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.975 178.252 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.422 ' H ' ' HB3' ' A' ' 31' ' ' SER . 34.2 m120 -151.73 -172.07 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.24 178.802 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.409 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 60.1 m-85 -104.61 -11.86 16.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.098 0.475 . . . . 0.0 110.472 -179.515 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 p -104.69 -71.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.778 -178.121 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -61.17 -42.63 98.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.196 -178.661 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB3' ' H ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -70.7 0.14 7.63 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.821 -178.626 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.409 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.9 m95 -113.09 -5.05 13.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.653 -179.575 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.434 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 70.9 m -63.33 -4.76 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.449 -178.922 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 36' ' ' MET . 4.7 t -91.91 -24.47 19.29 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.721 -179.223 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.535 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 79.31 -16.18 10.39 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 -177.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.488 ' H ' ' C ' ' A' ' 34' ' ' SER . 36.3 mmm -62.61 -31.07 71.84 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.535 -0.833 . . . . 0.0 110.382 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -52.07 62.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.994 -178.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.17 -45.56 87.29 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.105 -178.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.491 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 8.9 m -68.32 -47.05 68.56 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.289 -179.265 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.51 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -62.17 -41.86 98.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.579 -177.909 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.09 -45.19 94.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.893 0.378 . . . . 0.0 110.767 -178.89 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' C ' ' H ' ' A' ' 44' ' ' LYS . 6.3 mm -66.46 -44.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.887 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 29.5 t-80 -55.38 -6.61 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.403 -178.038 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 42' ' ' ILE . 6.0 tmtt? -84.05 -35.04 24.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.341 -179.443 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.14 -19.31 17.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.674 -178.619 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -128.42 98.1 26.68 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.319 -178.44 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.484 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -74.53 -37.3 2.45 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.826 1.684 . . . . 0.0 111.721 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 21.4 mp0 -70.75 2.82 3.72 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -61.89 -77.55 0.05 OUTLIER 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.04 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.537 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.0 p90 -165.56 159.35 16.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.657 179.277 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -81.04 94.37 6.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.62 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -62.16 -22.06 65.57 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.203 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.32 -13.05 59.89 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.673 -179.727 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -96.31 -11.43 25.91 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.749 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -84.23 152.17 24.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.943 0.401 . . . . 0.0 111.105 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -123.92 164.18 30.85 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.436 -179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -74.65 -9.11 21.09 Favored 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.308 2.005 . . . . 0.0 110.048 179.165 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.25 62.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.162 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -90.8 53.3 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.538 -178.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 33' ' ' SER . 57.3 mtp180 -64.33 -45.18 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.687 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -50.66 -48.42 58.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.191 0.52 . . . . 0.0 110.387 -178.492 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -65.85 -34.6 78.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.692 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 24.9 t30 -61.25 -42.49 98.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.53 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 56.1 m-85 -67.53 -55.29 14.09 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.389 179.482 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.457 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.7 m -54.15 -41.69 68.72 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.31 -49.52 76.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.24 -38.65 84.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.96 -179.035 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -79.53 -48.41 13.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.002 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.4 t -65.67 -28.04 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.947 -179.74 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.7 m -79.14 -48.09 14.92 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.144 178.624 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.45 78.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.089 -179.599 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 76' ' ' ASP . 86.2 tt0 -74.78 -46.61 35.81 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 110.683 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -59.13 -42.86 91.63 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.702 -178.644 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.33 -44.26 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.87 2.49 17.05 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -177.274 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 72' ' ' GLU . 91.5 m-20 50.11 31.72 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.881 179.506 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' ASP . 22.7 p -49.21 -165.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.619 -178.879 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.64 174.98 7.07 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.274 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -131.31 40.14 3.46 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.44 -26.65 68.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.53 -178.846 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -112.35 145.75 39.51 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.357 0.599 . . . . 0.0 112.13 -178.631 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -114.23 140.95 48.15 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.117 178.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG21 ' OG1' ' A' ' 65' ' ' THR . 52.9 t -58.0 -52.3 59.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.381 -178.657 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -53.93 -46.03 71.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.241 -178.665 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.65 -43.48 98.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.903 0.383 . . . . 0.0 110.19 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.53 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 4.5 mtp -60.95 -43.52 98.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.382 0.611 . . . . 0.0 109.68 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 83' ' ' VAL . 72.8 t -64.27 -42.98 97.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.062 179.51 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -73.41 -50.2 23.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 111.712 -179.346 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 20.7 mt -55.32 -61.74 2.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.53 -178.874 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 64.74 21.99 12.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -176.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 91' ' ' VAL . 77.8 t -160.03 59.9 1.36 Allowed Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.695 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.49 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.5 Cg_endo -44.06 176.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.489 1.264 0 C-N-CA 121.989 1.792 . . . . 0.0 111.366 -179.578 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -112.41 128.16 56.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.368 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -49.52 -32.92 13.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.979 -178.731 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -73.85 -35.82 64.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.417 179.036 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.5 m -66.05 -52.12 51.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.629 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.38 -44.53 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 21.4 t80 -59.02 -51.35 70.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.176 -179.736 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.2 m -58.08 -43.49 87.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.232 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.51 -50.83 71.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.489 0.661 . . . . 0.0 110.308 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' TYR . 26.2 mm -61.42 -40.93 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.207 179.792 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -50.51 -61.18 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.98 -45.03 91.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.645 -179.011 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.47 -43.48 98.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.3 t80 -53.67 -47.06 70.77 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.647 0.737 . . . . 0.0 109.757 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -60.18 -41.6 93.25 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.924 -179.01 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 t -59.22 -42.79 91.81 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.846 178.818 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.447 ' CB ' HG23 ' A' ' 114' ' ' VAL . 94.2 mt -62.01 -38.76 89.83 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.97 -46.75 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.462 -178.895 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -49.74 70.8 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.376 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -58.8 -19.64 42.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.226 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.53 77.81 Favored Glycine 0 N--CA 1.465 0.601 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.656 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.94 -43.35 58.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.422 -0.889 . . . . 0.0 111.185 179.085 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.447 HG23 ' CB ' ' A' ' 108' ' ' LEU . 81.3 t . . . . . 0 N--CA 1.464 0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.419 -178.089 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 . . . . . 0 N--CA 1.456 -0.132 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -59.16 -46.91 87.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.322 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.455 HD12 ' CE2' ' A' ' 98' ' ' TYR . 94.1 mt -63.28 -43.71 97.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.77 -47.51 85.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.334 -179.554 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.1 -54.52 46.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.58 1.181 . . . . 0.0 110.144 179.505 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.504 ' O ' ' CE ' ' A' ' 16' ' ' MET . 84.6 t90 -53.33 -61.95 1.97 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 112.638 -2.074 . . . . 0.0 111.344 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 14.1 p -52.58 -43.81 65.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 110.985 179.62 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.605 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 69.0 ttp85 -63.2 -47.4 82.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.977 0.894 . . . . 0.0 110.154 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -54.09 -10.77 0.38 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.138 -179.366 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.2 mpp? -112.98 1.88 15.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.616 -179.415 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 14' ' ' ARG . 16.7 p -95.12 -8.68 35.77 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -64.83 -41.4 95.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 109.692 178.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.41 -36.45 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.026 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 97.0 m-85 -94.29 152.82 18.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.625 -179.541 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' A' ' 23' ' ' VAL . 45.8 mt-10 -118.75 172.89 7.2 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.741 -179.291 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 3.6 t60 60.43 4.63 0.73 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.533 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.503 ' H ' ' C ' ' A' ' 21' ' ' GLU . 74.0 t -123.95 128.19 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.035 -179.802 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 23.8 p-10 -147.15 109.64 4.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.631 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.9 mt -87.29 87.68 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.57 0.7 . . . . 0.0 112.329 -178.174 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -93.64 -23.51 18.24 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.123 178.579 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -142.19 179.6 6.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.042 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.433 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 58.1 m-85 -105.01 -12.16 16.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.007 0.432 . . . . 0.0 110.414 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -106.93 -69.92 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.686 -177.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -61.84 -43.11 99.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.383 -178.717 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.78 1.04 7.52 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.774 -178.495 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.433 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 30.8 m95 -112.84 -3.85 14.09 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.571 -179.386 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -54.22 -41.35 68.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.181 -178.917 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -63.5 -25.19 68.14 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.63 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 75.48 -9.29 15.35 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 108.686 -1.765 . . . . 0.0 108.686 -177.862 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.503 ' H ' ' C ' ' A' ' 34' ' ' SER . 4.0 mmt -62.83 -20.86 65.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.622 -0.789 . . . . 0.0 110.331 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.91 -48.18 32.64 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.522 -179.698 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.32 -43.42 83.28 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.871 -179.397 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 5.5 m -71.76 -45.8 60.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.955 0.407 . . . . 0.0 111.045 -179.255 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.75 95.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.34 -178.21 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.62 -44.21 91.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.0 mm -65.49 -44.12 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.688 179.501 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.441 ' CG ' ' HH ' ' A' ' 20' ' ' TYR . 39.2 t-80 -59.79 -8.68 2.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 111.478 -178.887 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 44' ' ' LYS . 3.6 tmtt? -75.54 -41.05 55.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.56 0.695 . . . . 0.0 111.142 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -99.97 -15.0 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.88 -177.392 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.48 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.8 m-85 -124.0 97.64 40.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.279 -178.433 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.47 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.9 Cg_endo -75.56 -40.55 0.75 Allowed 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.787 1.658 . . . . 0.0 111.815 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.78 -2.69 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.7 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -58.4 -78.19 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.046 -179.491 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.434 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 9.2 p90 -168.61 162.83 12.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.575 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 54' ' ' GLU . 7.8 t0 -84.44 96.44 9.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.727 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.513 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 22.9 t80 -64.94 -20.17 66.33 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.171 -179.329 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.5 -9.71 59.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.59 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 2.0 mm-40 -97.14 -12.56 22.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 -179.267 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.4 -176.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.959 0.409 . . . . 0.0 111.206 -178.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.72 171.97 6.74 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.054 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -75.46 -17.11 18.83 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.087 1.858 . . . . 0.0 110.304 179.035 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.03 -3.82 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.032 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -108.88 36.55 2.83 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.018 -178.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -64.87 -56.67 11.99 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.261 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -51.64 -45.66 63.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.465 0.65 . . . . 0.0 110.182 -178.496 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -66.49 -34.6 78.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.501 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 28.2 t-20 -61.05 -42.71 98.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.621 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 39.9 m-85 -69.07 -53.63 19.34 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.867 179.502 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.402 ' OG1' HG21 ' A' ' 83' ' ' VAL . 14.9 m -56.22 -42.65 77.6 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.384 -0.527 . . . . 0.0 109.725 179.629 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.46 -50.53 73.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.176 -179.373 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.09 -36.36 70.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.986 -178.889 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 43.3 m-85 -81.75 -49.87 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.017 179.73 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.4 m -61.46 -32.59 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.823 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -77.75 -47.71 18.37 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.277 178.434 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.84 77.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.782 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 39.1 tp10 -71.71 -49.51 38.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.626 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -59.06 -41.06 87.04 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.755 -179.002 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 46' ' ' PHE . 97.4 mt -77.65 -48.61 16.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -178.831 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.477 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -121.81 8.0 9.94 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.829 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 30.5 t70 47.24 37.19 5.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.978 179.297 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 84.1 m -48.85 -166.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.122 -0.945 . . . . 0.0 112.498 -179.035 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.8 169.44 15.17 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.267 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -131.7 33.91 3.95 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.021 0.438 . . . . 0.0 110.055 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 7.4 mt -65.32 -22.5 66.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.335 -178.312 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -110.53 147.63 33.76 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.227 0.537 . . . . 0.0 112.217 -178.42 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -116.42 140.71 49.05 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.474 179.093 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.402 HG21 ' OG1' ' A' ' 65' ' ' THR . 77.2 t -57.94 -51.96 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.393 -178.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -55.09 -45.39 75.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.009 -178.489 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -57.74 -46.22 84.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.206 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.621 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 3.2 mtm -61.21 -45.76 93.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.409 0.623 . . . . 0.0 110.141 178.595 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.75 -42.01 91.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.635 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HG3' HH11 ' A' ' 88' ' ' ARG . 40.0 ttm-85 -73.66 -50.26 21.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.732 0.301 . . . . 0.0 111.621 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.3 mt -68.0 -48.18 66.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.193 0.52 . . . . 0.0 110.007 -178.504 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 56.21 31.51 18.54 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -177.376 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 91' ' ' VAL . 79.5 t -161.84 62.39 1.42 Allowed Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.749 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.469 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.7 Cg_endo -45.18 177.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.951 1.767 . . . . 0.0 111.172 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -113.24 128.98 56.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.247 179.425 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.0 p -49.05 -34.2 13.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.056 -178.778 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -73.63 -35.37 65.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 179.084 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.1 m -65.99 -51.05 61.88 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.648 -179.057 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.87 -44.54 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.603 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.3 t80 -59.09 -51.58 69.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.168 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.1 m -57.97 -44.95 87.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.241 -179.595 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.08 -50.06 73.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.327 0.584 . . . . 0.0 110.185 179.41 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.4 mm -59.95 -40.24 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.99 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -50.87 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.72 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -57.07 -45.77 83.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.62 -179.049 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.6 tp -59.29 -46.06 89.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.888 -179.587 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -52.87 -48.31 67.21 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.724 -179.287 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.9 -39.22 84.63 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.428 -178.768 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 t -61.14 -41.32 96.53 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.918 178.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.0 mt -67.04 -36.49 82.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.068 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.04 -49.48 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.674 -178.068 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.57 -47.07 77.04 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.178 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -56.39 -30.25 62.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.115 -179.664 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.26 19.29 55.64 Favored Glycine 0 N--CA 1.463 0.499 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.077 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.7 mt -77.15 -36.14 55.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.451 -0.875 . . . . 0.0 110.846 179.223 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.24 -179.034 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.952 0.406 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 tpt -58.45 -45.56 88.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.384 -179.758 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.434 HD12 ' CE2' ' A' ' 98' ' ' TYR . 89.0 mt -65.17 -43.16 92.6 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.555 179.676 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.39 -48.56 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.649 -179.357 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -55.39 -50.85 68.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.519 1.152 . . . . 0.0 109.961 179.668 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.476 ' O ' ' CE ' ' A' ' 16' ' ' MET . 89.0 t90 -60.45 -58.28 9.15 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 112.499 -2.137 . . . . 0.0 110.968 -179.704 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.54 -45.95 66.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.083 0.468 . . . . 0.0 110.746 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -61.46 -48.72 79.86 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' SD ' ' A' ' 16' ' ' MET . . . -50.57 -23.34 2.48 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.144 -179.624 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.1 mpp? -107.92 -1.93 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.569 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.554 ' OG1' HD12 ' A' ' 25' ' ' ILE . 24.7 m -88.57 -11.74 44.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.33 -179.698 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.84 -24.03 63.39 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.513 0.673 . . . . 0.0 109.847 179.271 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -67.88 -39.37 83.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.473 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -105.65 100.34 9.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.117 -178.83 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 23' ' ' VAL . 15.7 pt-20 -67.99 -173.02 0.33 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.619 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.0 OUTLIER 60.72 0.1 0.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.534 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.586 ' H ' ' C ' ' A' ' 21' ' ' GLU . 80.3 t -126.09 131.48 71.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.341 -179.519 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 40.2 p-10 -141.87 109.57 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.818 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.554 HD12 ' OG1' ' A' ' 17' ' ' THR . 90.3 mt -83.52 92.94 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.723 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -98.03 -23.6 15.7 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.702 -1.136 . . . . 0.0 108.825 178.222 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -148.68 -177.91 6.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.197 178.803 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -103.37 -7.11 21.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.03 0.443 . . . . 0.0 110.262 -179.435 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -105.8 -69.41 0.82 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.2 p -59.93 -44.14 94.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.662 -178.181 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.6 m -72.33 3.81 4.34 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.327 -178.675 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -115.79 -7.22 12.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.602 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.2 p -55.84 -34.43 65.41 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.491 -178.803 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 36' ' ' MET . 2.4 t -68.97 -24.6 64.26 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.762 -179.292 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 80.29 -11.05 39.43 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -178.013 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.437 ' H ' ' C ' ' A' ' 34' ' ' SER . 47.3 mmm -63.1 -29.78 71.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.246 179.351 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.33 62.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.543 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.38 -45.95 83.94 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.063 -179.109 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 4.1 m -67.25 -45.28 77.17 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.191 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.72 99.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.143 -178.451 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.21 -45.75 93.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.96 0.409 . . . . 0.0 110.434 -179.046 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mm -65.51 -43.29 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.5 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -55.78 -16.42 4.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.008 0.432 . . . . 0.0 111.265 -178.467 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -71.68 -41.24 68.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.155 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.413 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 3.9 m-85 -97.71 -15.02 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.989 -177.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.505 ' CD1' HD13 ' A' ' 74' ' ' LEU . 59.9 m-85 -131.17 92.99 31.35 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.299 -178.888 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -76.19 -42.98 0.33 Allowed 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.959 1.772 . . . . 0.0 111.977 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -60.82 -14.15 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.33 -68.18 0.2 Allowed 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.903 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -169.61 164.54 10.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.656 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -84.34 97.2 9.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.48 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -61.56 -23.53 66.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 120.872 0.367 . . . . 0.0 111.124 -178.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.57 -18.46 51.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.768 -179.609 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -83.99 -20.17 33.28 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.8 -172.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.238 -179.094 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -155.79 136.83 9.19 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.097 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -55.43 -25.28 47.67 Favored 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 121.952 1.768 . . . . 0.0 109.768 -179.142 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.39 89.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.373 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.05 57.83 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.471 -179.392 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -71.64 -44.7 63.89 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -52.41 -47.88 66.05 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.324 0.583 . . . . 0.0 110.181 -178.693 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -67.55 -34.33 76.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.503 179.349 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.527 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 19.2 t-20 -61.29 -43.62 98.57 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.466 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.459 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 41.5 m-85 -66.93 -56.2 11.28 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.7 179.318 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.9 m -51.57 -42.51 61.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 70' ' ' THR . 60.5 tp -59.83 -50.09 75.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.191 -179.498 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.74 -39.47 80.99 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.196 -178.84 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -76.44 -46.88 25.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.125 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.0 m -65.79 -27.86 68.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.765 -179.748 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 20.4 m -77.24 -51.32 11.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.189 178.451 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.09 77.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.857 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' ASP . 43.7 tp10 -71.15 -49.73 40.84 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.081 0.467 . . . . 0.0 110.627 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.36 -40.99 92.74 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.619 -178.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 46' ' ' PHE . 96.2 mt -82.98 -43.67 16.14 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -178.784 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.22 2.92 10.9 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -177.59 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.3 t70 49.34 36.98 10.61 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.747 179.444 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.6 t -49.2 -166.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.645 -178.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.7 172.25 9.39 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.194 179.543 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -127.89 36.2 4.37 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.75 -24.77 67.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.43 -178.246 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mt -114.97 142.65 46.34 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.243 0.544 . . . . 0.0 112.232 -178.47 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -112.75 132.49 55.2 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.245 178.698 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 87' ' ' VAL . 69.6 t -47.19 -53.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.601 -179.389 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -54.92 -46.26 74.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.287 -178.403 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.4 -44.62 95.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.9 0.381 . . . . 0.0 110.153 -179.508 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.459 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 12.6 mtp -61.66 -44.29 97.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.468 0.651 . . . . 0.0 110.079 179.131 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 83' ' ' VAL . 72.1 t -65.11 -44.54 95.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.241 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -70.84 -47.18 60.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.776 -179.27 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.51 -50.29 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.451 . . . . 0.0 110.603 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.73 28.28 17.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.23 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 90' ' ' ALA . 56.1 t -164.06 88.96 1.13 Allowed Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 113.748 -1.569 . . . . 0.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.15 -174.9 1.51 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.937 1.758 . . . . 0.0 111.429 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -121.15 130.47 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.382 179.356 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.6 p -48.88 -31.82 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.928 -178.81 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -73.29 -37.07 66.36 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.443 178.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.7 m -66.78 -52.36 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.774 -179.209 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.53 -44.09 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.8 t80 -59.2 -51.62 69.19 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.151 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.442 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 19.0 m -58.23 -43.86 87.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.25 -179.437 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -61.96 -50.61 71.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.455 0.645 . . . . 0.0 110.342 179.549 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.4 mm -59.88 -39.89 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.069 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -50.11 -63.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.442 ' OE1' ' O ' ' A' ' 99' ' ' THR . 2.5 mp0 -55.76 -44.16 77.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.598 0.713 . . . . 0.0 109.843 -178.78 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.87 -42.17 97.58 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.114 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.5 t80 -55.64 -53.0 61.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.159 -177.906 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -63.44 -33.55 75.8 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.289 -178.319 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.1 m -61.38 -37.5 83.63 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.582 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.11 -41.11 74.43 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.171 0.51 . . . . 0.0 110.926 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.92 -48.11 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -177.554 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.29 -40.86 98.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -62.58 -29.35 70.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.226 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.74 14.93 51.48 Favored Glycine 0 N--CA 1.465 0.588 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.097 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.93 -46.4 44.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.432 -0.884 . . . . 0.0 111.08 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.466 0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.172 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 121.039 0.447 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.4 tmt? -60.14 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.497 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 ' CE2' ' A' ' 98' ' ' TYR . 87.8 mt -63.61 -43.62 96.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.571 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.21 -47.35 86.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.42 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.77 -52.31 66.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.461 1.124 . . . . 0.0 109.91 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -54.63 -59.8 4.21 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 112.824 -1.989 . . . . 0.0 111.202 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -54.48 -45.65 73.25 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.087 0.47 . . . . 0.0 110.431 179.523 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -61.22 -50.44 73.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.664 179.651 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.77 -22.93 39.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.384 -179.092 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.6 mpp? -106.19 0.49 25.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.663 -179.354 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.525 ' O ' HG22 ' A' ' 17' ' ' THR . 73.9 m -109.39 -4.05 16.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.054 -179.785 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 20' ' ' TYR . 74.5 mtp85 -64.79 -55.48 19.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.521 0.677 . . . . 0.0 109.808 179.02 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -41.2 -24.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.017 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.532 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 24.5 m-85 -93.23 154.41 18.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.432 179.804 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.7 pm0 -121.26 174.1 6.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 -179.275 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.3 t60 61.11 0.99 0.44 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.407 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.547 ' H ' ' C ' ' A' ' 21' ' ' GLU . 75.9 t -124.14 130.62 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.823 -179.692 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 1.0 OUTLIER -145.81 108.71 4.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.64 179.571 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.7 mt -85.97 92.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.495 0.664 . . . . 0.0 112.492 -178.153 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -97.33 -23.17 16.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.065 178.728 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -144.92 180.0 6.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.228 178.875 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.429 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 63.2 m-85 -104.0 -9.3 18.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.101 0.477 . . . . 0.0 110.392 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -108.21 -69.1 0.87 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.709 -177.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.8 t -61.27 -44.19 97.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.281 -178.742 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.05 0.88 6.58 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.696 -178.77 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.429 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.5 m95 -113.98 -4.81 13.19 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.649 -179.117 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -61.1 -4.04 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.515 -178.931 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.466 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.4 m -95.34 -27.21 15.57 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.6 0.238 . . . . 0.0 111.608 -179.368 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 80.29 -15.28 18.24 Favored Glycine 0 N--CA 1.459 0.174 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 -178.127 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.466 ' H ' ' C ' ' A' ' 34' ' ' SER . 42.7 mmm -61.85 -26.39 68.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.67 -0.765 . . . . 0.0 110.319 179.87 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.21 45.0 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.923 -179.141 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.17 -46.71 82.55 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.231 -178.931 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 27.8 p -68.62 -43.47 76.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.796 -179.841 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.429 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.1 -42.77 99.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.218 -178.845 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.36 -43.78 98.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.031 0.443 . . . . 0.0 110.607 -178.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 42' ' ' ILE . 28.0 mm -64.58 -42.25 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 179.154 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.532 ' HD1' ' HH ' ' A' ' 20' ' ' TYR . 52.4 t-80 -56.12 -40.53 73.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 -179.018 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -51.1 -40.22 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.524 0.678 . . . . 0.0 110.745 -178.629 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.0 -45.55 19.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.637 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.55 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 15.8 m-85 -114.82 79.54 5.94 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.312 -177.888 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -47.24 -34.72 18.74 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.727 1.618 . . . . 0.0 111.64 -179.37 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -64.31 -16.7 62.68 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.207 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -34.25 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.156 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 2.7 p90 -170.16 166.01 9.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.858 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 43.5 t0 -79.64 95.53 5.94 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.782 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -67.27 -23.44 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.142 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.58 -11.96 59.95 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.73 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -92.61 -13.21 29.92 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.615 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.38 146.57 31.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.01 0.433 . . . . 0.0 110.955 -178.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' ALA . 19.9 m-20 -122.18 143.17 38.44 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.222 -179.578 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.36 -9.12 0.47 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.026 1.817 . . . . 0.0 110.013 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -86.79 -8.85 56.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.978 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -114.66 44.99 1.64 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.953 -178.656 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -64.91 -44.41 89.66 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.551 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -48.66 -54.84 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.222 0.534 . . . . 0.0 110.396 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 66' ' ' LEU . 88.4 m-70 -63.43 -33.24 75.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.637 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.463 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 13.6 t-20 -58.39 -45.57 88.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.151 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.448 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 59.0 m-85 -67.24 -56.8 8.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.367 179.633 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 m -52.95 -43.73 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.129 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 61.9 tp -61.7 -50.05 74.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.2 -179.659 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.02 80.65 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.938 -179.185 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -78.28 -45.92 21.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -63.09 -31.73 72.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -76.06 -48.22 21.67 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.409 178.659 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.12 -34.88 79.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.799 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 76' ' ' ASP . 43.0 tt0 -69.48 -50.1 48.49 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.625 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.48 -40.21 90.47 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.749 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.472 HD13 ' CG ' ' A' ' 46' ' ' PHE . 96.7 mt -79.26 -46.22 18.22 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.759 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.42 7.83 8.37 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.862 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 72' ' ' GLU . 71.6 m-20 49.4 40.51 18.87 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.953 179.362 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.9 t -44.55 -172.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.665 -178.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.63 172.27 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.443 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -124.13 38.73 4.13 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.6 mt -68.5 -28.63 67.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.644 -178.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mt -117.67 142.21 47.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.235 0.54 . . . . 0.0 112.332 -178.173 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.488 ' N ' ' OD2' ' A' ' 85' ' ' ASP . 81.7 mt-10 -110.48 141.79 43.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.29 179.057 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.34 -51.91 58.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.358 -178.753 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.24 -46.19 72.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.428 -178.742 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -64.5 -43.55 93.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.1 0.476 . . . . 0.0 110.405 -179.879 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.464 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 5.2 mtp -62.37 -44.57 96.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.577 0.703 . . . . 0.0 109.279 -179.506 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -69.85 -42.03 79.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.913 179.249 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -70.83 -47.0 61.75 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.742 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.93 -50.78 63.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.072 0.463 . . . . 0.0 110.286 -179.484 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 61.89 24.51 14.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -177.469 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 90' ' ' ALA . 54.2 t -162.36 89.32 1.38 Allowed Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.501 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.33 -175.34 1.95 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.909 1.739 . . . . 0.0 111.239 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -117.32 129.55 55.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.182 179.461 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 m -49.38 -33.58 14.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.967 -178.835 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -73.66 -36.22 65.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.563 179.003 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.7 m -66.01 -50.16 65.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.988 0.423 . . . . 0.0 110.691 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.27 -44.9 99.66 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.1 t80 -58.16 -50.63 72.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.121 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.9 m -58.37 -42.77 87.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.986 -179.555 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -62.41 -50.34 71.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.308 0.575 . . . . 0.0 110.133 179.435 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.439 ' CG2' HD22 ' A' ' 9' ' ' LEU . 26.7 mm -61.02 -41.36 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.966 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -49.92 -62.78 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.879 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.47 -45.74 88.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.884 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.7 tp -59.59 -45.69 91.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -53.28 -48.09 68.61 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.572 0.701 . . . . 0.0 109.659 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -60.24 -38.13 82.49 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.13 -178.498 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.8 t -60.82 -40.78 94.04 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.854 178.794 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.28 -37.82 81.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.15 179.518 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.35 -48.64 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.968 -178.146 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -64.94 -42.01 95.02 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.311 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -64.53 -19.13 65.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.141 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.98 77.38 Favored Glycine 0 N--CA 1.463 0.456 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.463 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.2 mt -72.93 -45.58 57.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.838 -0.681 . . . . 0.0 110.982 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.104 -178.981 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.038 0.447 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 tpt -59.79 -49.3 78.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 98' ' ' TYR . 95.8 mt -64.97 -45.06 87.27 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.365 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.58 -47.5 85.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.696 -179.296 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.04 -51.03 70.9 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 122.644 1.212 . . . . 0.0 109.939 179.624 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -60.75 -62.61 1.73 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 112.386 -2.188 . . . . 0.0 111.543 -179.729 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.511 ' SG ' HD22 ' A' ' 41' ' ' LEU . 2.0 t -51.55 -45.11 62.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.139 0.495 . . . . 0.0 111.335 179.558 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -58.79 -44.66 90.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.1 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.9 -32.59 46.02 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.466 -179.356 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.1 mmt -88.39 -3.72 58.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.823 -179.536 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.46 ' OG1' HD12 ' A' ' 25' ' ' ILE . 96.2 m -89.2 -13.66 37.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.501 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -65.79 -39.64 91.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.62 0.724 . . . . 0.0 109.675 179.228 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -64.67 -37.57 88.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.376 -1.283 . . . . 0.0 110.222 179.774 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.428 ' OH ' ' C ' ' A' ' 43' ' ' HIS . 72.4 m-85 -91.54 152.12 20.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.935 -179.424 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.7 pm0 -119.78 172.08 7.95 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.557 -179.576 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.636 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 38.1 t-80 62.38 3.93 1.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.301 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.49 ' H ' ' C ' ' A' ' 21' ' ' GLU . 69.3 t -126.95 127.81 70.13 Favored 'Isoleucine or valine' 0 C--O 1.23 0.066 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.743 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.88 111.57 6.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.853 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.46 HD12 ' OG1' ' A' ' 17' ' ' THR . 89.2 mt -87.79 84.33 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 112.25 -178.119 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -92.57 -25.19 18.46 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.059 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -143.44 -176.07 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.294 178.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.441 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 64.7 m-85 -108.17 -13.26 14.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.201 0.524 . . . . 0.0 110.456 -179.753 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.4 t -105.87 -71.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.922 -178.344 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.1 t -61.71 -44.45 96.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.303 -178.78 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.1 m -69.55 1.84 3.7 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.033 -178.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.441 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.2 m95 -114.32 -3.1 13.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.695 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -54.72 -32.97 60.41 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.324 -179.171 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.553 ' C ' ' H ' ' A' ' 36' ' ' MET . 78.3 p -67.3 -24.94 65.81 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.538 -179.241 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.48 -12.41 5.88 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 -178.308 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.553 ' H ' ' C ' ' A' ' 34' ' ' SER . 69.8 mtp -65.9 -16.65 64.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.563 -0.818 . . . . 0.0 110.359 179.644 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.3 -49.34 35.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -56.79 -44.08 81.55 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.012 -178.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 91.3 m -70.02 -45.17 67.79 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.243 -179.696 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.1 95.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.657 -178.568 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 45' ' ' PHE . 46.1 tp -66.58 -43.03 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.967 0.413 . . . . 0.0 110.976 -179.006 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.487 ' C ' ' H ' ' A' ' 44' ' ' LYS . 30.4 mm -68.37 -45.67 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.933 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 28.1 t-80 -59.36 -1.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.267 -178.575 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 42' ' ' ILE . 13.4 tmtt? -83.95 -36.53 23.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.633 -179.078 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -99.13 -17.15 18.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.681 -178.142 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CD1' HD13 ' A' ' 74' ' ' LEU . 82.1 m-85 -123.14 99.13 41.03 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.486 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.6 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -75.14 -40.37 0.89 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.814 1.676 . . . . 0.0 111.867 -179.743 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.25 14.68 0.21 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.6 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -77.13 -77.53 0.14 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.752 -179.382 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 27.0 p90 -166.95 160.54 14.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.671 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -84.43 97.15 9.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.711 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -61.55 -22.22 64.97 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.05 -179.342 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.67 -15.89 55.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.568 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -86.93 -20.38 27.43 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.56 -179.649 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.81 150.7 32.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.055 0.455 . . . . 0.0 110.849 -179.141 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.83 146.25 37.36 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.395 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -50.86 -23.5 11.86 Favored 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 122.057 1.838 . . . . 0.0 109.952 -179.498 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.61 94.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.447 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -82.51 68.98 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.503 -179.338 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.548 ' O ' ' ND2' ' A' ' 63' ' ' ASN . 14.5 ptm180 -84.7 -47.06 10.84 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 67.6 mtm180 -51.48 -45.61 62.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.302 0.572 . . . . 0.0 110.147 -178.337 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -64.19 -35.37 80.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -60.77 -45.17 95.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.166 0.507 . . . . 0.0 111.167 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD2' ' ND2' ' A' ' 63' ' ' ASN . 53.3 m-85 -65.7 -53.58 38.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.607 -179.518 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.495 ' OG1' HG21 ' A' ' 83' ' ' VAL . 19.4 m -57.85 -45.04 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.698 179.702 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.58 -48.07 82.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.255 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.7 79.84 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.956 -0.697 . . . . 0.0 110.055 -179.18 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 25.7 m-85 -80.91 -48.45 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.965 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 m -60.95 -29.46 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.64 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.7 m -77.82 -47.23 19.38 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.086 178.591 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -63.25 -33.95 76.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' ASP . 93.4 mt-10 -70.42 -50.47 38.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.212 0.53 . . . . 0.0 110.812 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -62.02 -40.35 95.41 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.848 -179.006 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 46' ' ' PHE . 97.1 mt -85.44 -37.98 19.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.727 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -122.59 -0.93 9.1 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -177.638 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' GLU . 57.3 t0 47.54 36.91 5.73 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.815 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.9 t -50.32 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.724 -178.817 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 103' ' ' GLU . . . -86.51 172.85 10.0 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.165 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -126.98 70.8 1.29 Allowed 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -101.07 -25.7 13.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.57 -178.721 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -110.35 140.57 44.41 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.171 0.51 . . . . 0.0 111.896 -178.771 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -115.82 126.17 53.64 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.02 179.047 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.495 HG21 ' OG1' ' A' ' 65' ' ' THR . 93.3 t -45.16 -53.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.531 -179.027 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.83 -46.42 71.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.304 -178.469 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -64.68 -42.83 95.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.939 0.4 . . . . 0.0 110.042 -179.623 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.482 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 4.6 mtp -62.09 -45.27 94.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.574 0.702 . . . . 0.0 109.8 179.113 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 83' ' ' VAL . 77.8 t -66.05 -43.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.851 179.324 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -70.26 -47.41 61.41 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.764 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.71 -49.05 67.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.042 0.449 . . . . 0.0 110.422 -179.546 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.23 30.19 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -177.224 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 90' ' ' ALA . 53.6 t -164.78 92.88 0.95 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 113.861 -1.518 . . . . 0.0 109.437 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -73.52 -177.69 3.23 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 C-N-CA 121.994 1.796 . . . . 0.0 111.385 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -119.3 130.25 55.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.219 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 p -48.53 -32.99 8.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.006 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -74.03 -36.34 64.42 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.66 178.873 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.7 m -66.17 -53.53 36.4 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -178.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.93 -44.11 97.3 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.9 t80 -58.33 -50.85 72.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.942 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.7 m -58.57 -42.69 88.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.128 -179.581 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -61.3 -51.64 68.02 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.485 0.66 . . . . 0.0 110.4 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.4 mm -60.35 -40.1 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.156 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -51.36 -60.71 2.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.729 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 78' ' ' ALA . 65.3 mt-10 -59.11 -46.03 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.554 -179.262 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 tp -59.45 -46.53 88.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.633 -179.483 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -52.74 -47.42 67.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.507 0.67 . . . . 0.0 109.663 -179.677 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.16 -41.86 97.52 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.955 -178.505 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.0 p -59.49 -38.75 81.69 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.899 179.145 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 114' ' ' VAL . 96.8 mt -63.76 -39.92 95.45 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.834 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.13 -46.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.429 -178.68 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.8 -51.5 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.413 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.68 -25.03 59.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.201 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.89 21.14 63.96 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.294 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.9 mt -72.01 -44.19 63.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.393 -0.904 . . . . 0.0 111.031 179.124 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' A' ' 108' ' ' LEU . 2.4 t . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.177 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.132 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -57.38 -30.48 88.05 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 C-N-CA 122.082 1.855 . . . . 0.0 109.718 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -86.76 -61.5 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.22 153.62 30.42 Favored Glycine 0 N--CA 1.463 0.461 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 m -85.65 -66.99 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.977 0.418 . . . . 0.0 110.469 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -49.41 -36.31 21.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.5 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.96 -41.12 97.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.8 OUTLIER -61.64 -48.53 80.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.257 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.436 HD12 ' CE2' ' A' ' 98' ' ' TYR . 90.9 mt -66.35 -42.55 87.94 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.89 -48.14 81.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.651 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.85 -47.89 79.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.563 1.173 . . . . 0.0 109.886 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -63.68 -61.58 2.22 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 112.426 -2.17 . . . . 0.0 111.201 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 m -51.53 -44.52 62.65 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.008 0.432 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -60.72 -45.67 93.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.228 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.77 -27.54 3.04 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.109 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.4 mmt -91.3 -15.58 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.382 . . . . 0.0 110.656 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' TYR . 71.2 m -75.69 -17.87 59.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.462 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.94 -37.67 84.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.618 0.723 . . . . 0.0 109.807 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -64.54 -38.52 91.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.363 -1.289 . . . . 0.0 110.207 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.485 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 65.0 m-85 -99.53 161.94 13.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.851 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.8 mp0 -123.29 178.25 5.22 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.755 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.615 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 47.7 t-80 62.47 4.4 1.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 21' ' ' GLU . 94.6 t -123.67 128.33 74.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.759 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 40.5 p-10 -137.08 106.02 5.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.742 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.6 mt -87.87 80.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.567 0.699 . . . . 0.0 112.308 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -104.32 -0.58 28.05 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.232 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -162.32 173.76 13.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.292 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -105.57 -12.63 15.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.97 0.414 . . . . 0.0 110.37 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -106.45 -71.39 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.755 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.2 m -60.96 -44.53 97.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.149 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -68.32 0.77 3.5 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.822 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -114.65 -3.61 12.86 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.682 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -56.73 -19.16 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.469 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.535 ' C ' ' H ' ' A' ' 36' ' ' MET . 6.5 m -82.09 -22.71 36.15 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.584 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 74.71 -12.48 6.09 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.604 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 94.2 mtp -65.0 -20.04 66.3 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.675 -0.763 . . . . 0.0 110.079 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.4 -48.84 47.31 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.639 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -57.05 -41.99 79.72 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.015 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 21.1 p -71.25 -45.0 64.2 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.06 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.565 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.51 -42.96 99.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.526 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.19 -43.49 98.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 110.659 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.8 mm -67.63 -43.47 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.408 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 34.5 t-80 -56.66 -14.3 3.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.996 0.427 . . . . 0.0 111.341 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -71.45 -39.74 70.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.858 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.88 -14.83 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.912 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -127.02 99.28 28.94 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.293 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -75.65 -36.74 2.03 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.959 1.773 . . . . 0.0 111.737 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -66.91 -16.69 64.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.8 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.124 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 6.7 p90 -168.82 162.99 11.71 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.711 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -80.64 97.62 7.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.58 -25.48 67.35 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.884 0.373 . . . . 0.0 111.056 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.88 -12.84 60.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.751 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -94.54 -10.67 31.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.654 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.56 154.01 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.088 0.471 . . . . 0.0 110.965 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -131.22 165.0 38.44 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.113 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -76.86 -1.27 11.4 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.351 2.034 . . . . 0.0 109.977 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.18 -44.05 60.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.289 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 19.4 ptmt -97.46 63.58 1.79 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.726 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -65.07 -42.21 94.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -52.72 -47.96 66.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.699 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -66.65 -35.86 81.17 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 16.4 t-20 -60.7 -42.08 96.47 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.542 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.531 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.8 m-85 -68.89 -53.84 18.9 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.687 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.1 m -56.64 -43.27 80.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 70' ' ' THR . 65.4 tp -61.88 -49.48 76.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.61 -39.41 80.36 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.899 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 41.7 m-85 -79.81 -49.43 12.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.249 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 m -61.09 -30.39 70.32 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 24.0 m -75.78 -50.47 15.11 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.295 178.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.17 72.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' ASP . 74.6 tt0 -70.04 -51.89 28.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.112 0.482 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.56 -38.93 91.98 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.988 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.38 -38.92 19.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.43 1.26 8.34 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 72' ' ' GLU . 59.7 t0 48.34 37.24 8.24 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.839 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 76' ' ' ASP . 18.6 p -47.06 -167.87 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.546 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.42 172.86 9.07 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.306 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -124.37 40.87 3.63 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.987 0.422 . . . . 0.0 109.872 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.28 -28.8 64.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.662 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.8 mt -112.05 143.15 43.54 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 121.198 0.523 . . . . 0.0 112.26 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -113.8 131.06 56.37 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.144 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 87' ' ' VAL . 77.7 t -49.23 -53.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.719 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -54.54 -45.04 73.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.305 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -62.01 -44.44 96.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.93 0.395 . . . . 0.0 110.212 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.531 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 9.2 mtp -60.89 -43.56 98.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.083 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' VAL . 71.3 t -63.63 -44.69 98.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.109 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -71.77 -48.62 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.565 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.86 -51.66 63.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.037 0.446 . . . . 0.0 110.5 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.13 28.84 18.25 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 90' ' ' ALA . 55.8 t -163.51 92.64 1.12 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 113.788 -1.551 . . . . 0.0 109.423 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.03 -178.49 3.58 Favored 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 121.939 1.76 . . . . 0.0 111.39 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -117.95 131.23 56.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.458 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.3 m -48.45 -33.72 9.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.946 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -74.18 -34.64 63.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.429 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.9 m -67.78 -52.92 31.49 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.068 0.461 . . . . 0.0 110.745 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.26 -44.17 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 19.6 t80 -60.89 -50.92 71.47 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.097 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.43 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 86.5 m -59.66 -42.93 93.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.694 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -61.13 -50.88 71.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.505 0.669 . . . . 0.0 110.028 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.4 mm -59.85 -38.04 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.119 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -53.6 -57.32 11.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' A' ' 99' ' ' THR . 1.6 mp0 -60.34 -46.18 90.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.588 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.5 tp -60.38 -44.69 95.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.638 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -53.24 -48.53 68.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.573 0.701 . . . . 0.0 109.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.65 -44.45 93.54 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.106 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.7 t -57.41 -40.83 79.12 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.836 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.02 -39.45 94.8 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.72 -47.14 94.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.436 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.67 -52.83 58.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -53.99 -26.13 24.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.215 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.36 20.39 64.52 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 mt -72.31 -45.03 61.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.48 -0.86 . . . . 0.0 111.101 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.52 -32.71 58.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.242 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.47 59.74 3.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.92 0.39 . . . . 0.0 110.102 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.8 m -84.25 -48.54 9.66 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.391 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -141.13 126.98 19.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.36 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.544 ' CD ' ' H ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -73.27 160.94 31.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.217 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.446 -179.479 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -71.17 142.49 41.93 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.271 1.981 . . . . 0.0 110.344 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 5' ' ' SER . 58.3 mt -104.9 -13.13 15.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.531 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.7 68.64 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 3' ' ' LEU . 8.8 t -62.15 -54.38 41.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 110.401 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.22 -7.39 12.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.639 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -63.09 -36.95 85.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.97 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 tpt -60.64 -46.46 90.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.284 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.444 HD12 ' CE2' ' A' ' 98' ' ' TYR . 88.4 mt -62.45 -43.58 98.48 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.353 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.67 -48.03 82.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.812 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -58.74 -52.37 65.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.661 1.22 . . . . 0.0 110.233 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -58.16 -63.75 1.16 Allowed 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 112.212 -2.267 . . . . 0.0 111.435 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.46 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.8 t -51.86 -50.08 61.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.122 0.487 . . . . 0.0 111.067 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -54.9 -44.58 74.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.36 -31.25 61.6 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.777 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.0 -29.07 14.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.169 -178.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -81.98 -12.41 58.36 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.709 0.63 . . . . 0.0 111.15 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -62.15 -61.19 2.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.708 0.766 . . . . 0.0 109.064 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -47.37 -23.48 0.59 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.883 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -90.99 103.38 16.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.663 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.568 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -68.02 174.39 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.612 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 17.0 t-80 63.5 -1.59 0.57 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.925 0.869 . . . . 0.0 108.719 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 21' ' ' GLU . 67.1 t -128.74 129.46 68.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.198 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' O ' ' OG ' ' A' ' 31' ' ' SER . 67.7 t0 -152.28 110.95 3.78 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.565 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.83 105.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.629 0.728 . . . . 0.0 112.96 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.4 ' H ' ' CB ' ' A' ' 31' ' ' SER . 62.2 tt0 -105.77 -11.08 16.4 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.493 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 11.5 t-20 -172.76 -173.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.32 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.502 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 50.6 m-85 -103.68 -13.2 16.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.063 0.459 . . . . 0.0 110.379 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -105.99 -71.15 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.806 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -59.94 -43.81 94.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.484 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 7.2 t -71.91 0.07 10.13 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.103 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.419 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 33.3 m95 -112.26 -6.2 14.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.817 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.8 m -63.74 0.02 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.31 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.9 m -96.37 -25.86 15.57 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.599 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.49 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 79.24 -14.8 13.77 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 108.922 -1.671 . . . . 0.0 108.922 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.478 ' H ' ' C ' ' A' ' 34' ' ' SER . 63.1 mmm -61.95 -28.98 69.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.538 -0.831 . . . . 0.0 110.071 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.44 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.684 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -56.98 -47.13 81.5 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.273 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.549 ' SG ' ' ND2' ' A' ' 63' ' ' ASN . 88.3 m -67.6 -44.81 77.17 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.55 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.761 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.5 tp -65.0 -42.12 94.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.05 0.452 . . . . 0.0 110.878 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.88 -44.36 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.588 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 34.9 t-80 -57.5 -14.33 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.977 0.418 . . . . 0.0 111.246 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -70.31 -39.99 74.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.507 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -102.81 -12.27 17.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.766 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 74' ' ' LEU . 97.0 m-85 -128.73 94.75 33.99 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.296 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.93 -36.69 2.46 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.809 1.672 . . . . 0.0 111.528 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.77 -14.2 60.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.36 -75.82 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.16 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.422 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 7.9 p90 -168.48 162.8 12.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.607 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -84.21 96.98 9.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 38.6 t80 -60.13 -21.29 61.4 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.93 -16.74 52.69 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.647 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -90.38 -17.51 27.14 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.608 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -80.07 152.15 29.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 111.266 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 1.9 p30 -122.56 162.64 37.17 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.333 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.27 -13.32 20.91 Favored 'Trans proline' 0 N--CA 1.49 1.275 0 C-N-CA 122.189 1.926 . . . . 0.0 110.01 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.47 77.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.342 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -92.25 56.16 2.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.329 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 20.3 ptp180 -67.62 -43.03 81.4 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 83.2 mtp180 -51.52 -46.67 63.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.262 0.553 . . . . 0.0 110.276 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -67.67 -33.33 74.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.598 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.549 ' ND2' ' SG ' ' A' ' 39' ' ' CYS . 6.5 t-20 -61.31 -42.69 99.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.184 0.516 . . . . 0.0 110.56 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.49 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 47.3 m-85 -68.89 -52.54 28.49 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.652 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.0 m -55.2 -43.31 74.29 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.47 -47.42 86.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.902 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.47 -39.0 82.27 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.972 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -80.7 -49.65 10.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.974 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.2 p -62.4 -30.79 71.46 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.6 m -78.08 -46.92 19.49 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.424 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.04 79.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 33.4 tp10 -70.52 -49.63 46.27 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.739 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -60.63 -39.83 89.69 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.476 -0.889 . . . . 0.0 110.894 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.8 mt -80.24 -45.99 17.03 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.68 5.96 10.0 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 78.8 m-20 48.17 34.34 4.32 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.958 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.457 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.7 t -48.82 -166.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.811 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.24 171.77 10.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.26 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -130.89 40.7 3.45 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.28 -25.25 66.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.598 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mt -112.97 142.93 45.1 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.17 0.509 . . . . 0.0 112.26 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -112.31 132.57 54.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.051 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 87' ' ' VAL . 87.9 t -49.29 -54.16 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.899 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -55.27 -46.42 76.15 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.375 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -58.93 -45.5 90.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.868 0.366 . . . . 0.0 110.369 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.0 mtp -62.55 -43.35 99.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.427 0.632 . . . . 0.0 109.859 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 83' ' ' VAL . 64.2 t -62.84 -46.84 95.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.07 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -71.0 -47.15 60.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.997 0.427 . . . . 0.0 111.421 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.51 -51.54 62.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.074 0.464 . . . . 0.0 110.392 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 58.65 26.69 14.83 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -177.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 90' ' ' ALA . 72.5 t -162.09 89.96 1.41 Allowed Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 113.784 -1.553 . . . . 0.0 109.534 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -72.5 -173.14 1.06 Allowed 'Trans proline' 0 N--CA 1.488 1.183 0 C-N-CA 121.975 1.783 . . . . 0.0 111.46 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.35 130.97 55.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.208 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.8 m -48.2 -34.36 9.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.035 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' O ' ' OG1' ' A' ' 99' ' ' THR . 63.5 pttt -77.79 -31.01 51.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.695 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.9 m -66.29 -53.7 33.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.643 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.06 -43.02 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 21.5 t80 -58.57 -50.86 72.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.839 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.4 m -58.52 -44.22 89.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.124 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -61.67 -51.41 68.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.503 0.668 . . . . 0.0 110.324 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.97 -37.71 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.011 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -55.19 -56.86 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.707 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -59.43 -46.27 89.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.714 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.95 -45.23 93.32 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -54.36 -48.66 71.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.51 0.671 . . . . 0.0 109.943 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -60.21 -42.68 95.68 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.976 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.7 t -58.95 -40.73 85.58 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.758 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.08 -40.76 96.9 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.987 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.39 -46.76 95.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.728 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -61.46 -49.91 74.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.67 -18.33 53.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.24 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.61 20.93 75.95 Favored Glycine 0 N--CA 1.464 0.563 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 mt -72.96 -44.77 60.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.368 -0.916 . . . . 0.0 111.171 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.75 -34.77 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.278 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -81.0 52.91 1.86 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.237 0.542 . . . . 0.0 110.187 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -90.28 -3.86 57.52 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.242 -179.373 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.91 52.09 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.557 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 116' ' ' THR . 5.6 mtpm? -126.6 150.26 48.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.074 0.464 . . . . 0.0 109.823 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 51.3 tptt . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.355 -179.742 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.531 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 2.7 Cg_endo -69.7 -31.18 21.3 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.169 1.913 . . . . 0.0 110.357 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 mt -80.91 -43.79 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.802 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.36 64.24 3.27 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -68.23 -63.87 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.624 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -100.07 1.02 41.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.484 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -65.1 -39.97 93.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.044 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -58.87 -47.49 84.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.377 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.438 HD22 ' CG2' ' A' ' 101' ' ' ILE . 88.2 mt -65.37 -44.01 88.95 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.54 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.04 -46.94 88.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.525 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -56.72 -48.15 78.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.591 1.186 . . . . 0.0 110.129 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -64.01 -62.31 1.71 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 112.26 -2.245 . . . . 0.0 111.053 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -51.32 -45.8 62.37 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.8 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' O ' ' OG1' ' A' ' 17' ' ' THR . 61.4 ttt-85 -60.41 -45.49 93.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.67 0.748 . . . . 0.0 110.38 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.18 -25.99 4.16 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.279 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.5 mmt -88.77 -23.83 22.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.488 ' O ' ' O ' ' A' ' 20' ' ' TYR . 68.9 p -70.0 -15.17 62.98 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.39 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -64.82 -43.41 93.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 109.533 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.32 -37.32 87.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.072 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.518 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 79.7 m-85 -94.84 155.4 16.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.941 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 23' ' ' VAL . 99.7 mt-10 -118.64 173.29 6.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.717 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.634 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 37.5 t-80 63.21 6.81 2.51 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.442 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 79.6 t -122.87 125.38 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.855 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 78.8 m-20 -142.92 105.27 4.44 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.668 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.15 99.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.651 0.739 . . . . 0.0 112.833 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -97.72 -27.46 14.33 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.847 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 65.0 t30 -152.8 -170.88 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 44.7 m-85 -104.32 -8.77 19.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.006 0.432 . . . . 0.0 110.325 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 30' ' ' SER . 88.2 p -106.78 -70.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.806 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.415 ' N ' ' OG ' ' A' ' 29' ' ' SER . 11.8 t -61.55 -43.53 98.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.341 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.424 ' HB3' ' H ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -70.65 0.5 6.81 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.808 -178.598 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -114.25 -4.29 13.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.618 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.3 m -63.23 -6.04 4.0 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.234 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 36' ' ' MET . 23.9 m -93.29 -25.88 17.56 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.525 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 80.38 -15.49 17.86 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.881 -1.688 . . . . 0.0 108.881 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.591 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 27.2 mtt -61.84 -28.86 69.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.518 -0.841 . . . . 0.0 110.192 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.66 -50.26 58.72 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.647 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.62 -45.01 90.12 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.122 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 12.2 m -69.22 -46.95 66.13 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.0 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.518 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -62.79 -42.42 99.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.368 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.5 -43.86 96.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.935 0.398 . . . . 0.0 110.769 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 44' ' ' LYS . 2.9 mm -67.73 -43.47 86.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.793 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 43.7 t-80 -57.7 -5.64 0.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.288 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 42' ' ' ILE . 3.7 tmtt? -85.31 -35.9 21.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.349 0.595 . . . . 0.0 111.256 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -86.58 -36.4 18.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.876 -178.159 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -121.87 105.48 37.81 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.485 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.595 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -72.96 -34.49 6.44 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.929 1.753 . . . . 0.0 111.731 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -72.52 14.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.595 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -73.55 -76.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.559 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.506 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.5 p90 -168.73 162.39 11.62 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.784 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -83.24 97.91 9.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.63 -21.69 66.5 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.889 0.376 . . . . 0.0 110.995 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.54 -15.14 58.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.709 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -90.48 -11.79 39.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.4 mt -85.62 150.37 24.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.81 167.22 16.6 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.191 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -75.25 -6.56 18.04 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 122.236 1.957 . . . . 0.0 110.012 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.14 -46.19 52.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -94.23 60.96 2.81 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.423 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -67.78 -45.98 73.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -50.69 -51.9 45.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.257 0.551 . . . . 0.0 110.421 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -61.16 -34.15 74.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.763 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 26.7 t30 -62.09 -42.01 98.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.519 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 47.0 m-85 -69.05 -54.03 17.29 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.695 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.475 ' OG1' HG21 ' A' ' 83' ' ' VAL . 18.5 m -53.61 -42.55 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.405 HD21 ' CG ' ' A' ' 50' ' ' PHE . 64.5 tp -60.7 -48.4 81.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.066 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.65 82.24 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.136 -0.625 . . . . 0.0 109.883 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -79.08 -51.54 9.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 t -61.29 -28.16 68.99 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.011 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.9 m -78.15 -46.93 19.32 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.262 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.532 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -65.29 -34.57 78.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.99 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 92.1 mt-10 -71.19 -50.78 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.044 0.449 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -58.91 -39.44 81.54 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.791 -0.764 . . . . 0.0 110.759 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -79.4 -50.02 11.46 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.552 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -118.7 7.23 11.63 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -177.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.4 t70 47.76 37.48 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.022 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 8.4 m -49.28 -166.15 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.499 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.94 171.18 10.98 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.341 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -127.32 40.31 3.73 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.04 -27.0 67.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.687 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.9 mt -113.3 142.28 46.02 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.196 0.522 . . . . 0.0 112.356 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -113.05 134.31 54.58 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.983 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.475 HG21 ' OG1' ' A' ' 65' ' ' THR . 56.1 t -50.27 -54.23 9.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.811 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 20.0 p30 -53.49 -44.7 69.26 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.491 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.58 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 98.2 m-20 -62.42 -43.57 98.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.084 0.469 . . . . 0.0 110.176 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.506 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 5.8 mtp -60.22 -43.02 96.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.118 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.65 -45.75 98.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.117 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -72.91 -50.96 20.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.925 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.19 -58.17 9.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.306 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.03 26.51 15.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 91' ' ' VAL . 77.7 t -160.91 60.37 1.28 Allowed Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.795 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.485 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.6 Cg_endo -45.29 179.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.013 1.809 . . . . 0.0 111.332 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -114.27 129.8 56.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.312 0.577 . . . . 0.0 110.388 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -48.69 -32.96 9.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.897 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -77.08 -31.51 56.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.446 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.4 m -67.15 -54.79 18.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.53 -43.72 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -57.75 -51.43 69.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.322 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.9 m -57.92 -43.21 86.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.034 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -61.59 -49.78 75.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.436 0.636 . . . . 0.0 110.084 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.438 ' CG2' HD22 ' A' ' 9' ' ' LEU . 28.0 mm -62.16 -41.98 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.935 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -47.42 -68.07 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 104' ' ' LEU . 1.3 pp20? -56.75 -44.3 81.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.844 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.544 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 15.3 tp -60.8 -46.29 91.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.464 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -52.48 -47.36 66.59 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.56 0.695 . . . . 0.0 109.568 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -60.85 -40.15 91.77 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.017 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.9 m -59.83 -39.09 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.954 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.2 mt -69.45 -37.32 77.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.241 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.52 -47.8 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.765 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.401 ' H ' ' HG2' ' A' ' 110' ' ' GLN . 5.8 pt20 -65.7 -43.87 87.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -61.03 -25.41 66.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.311 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.61 19.19 58.74 Favored Glycine 0 N--CA 1.464 0.545 0 N-CA-C 109.791 -1.323 . . . . 0.0 109.791 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 113' ' ' LEU . 17.8 mt -76.25 -41.24 49.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.515 -0.843 . . . . 0.0 110.976 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -63.4 -36.22 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.262 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -107.2 107.51 18.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.859 0.361 . . . . 0.0 110.453 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.52 -44.66 4.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.211 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -138.66 124.61 19.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.342 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.401 ' O ' ' OXT' ' A' ' 119' ' ' LYS . 26.5 ttpt -81.12 149.82 29.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.009 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.401 ' OXT' ' O ' ' A' ' 118' ' ' LYS . 4.7 mmtp . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.814 -1.088 . . . . 0.0 110.599 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -70.21 -21.64 31.13 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.28 1.987 . . . . 0.0 110.153 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 mt -87.67 -25.11 23.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.659 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.15 41.02 18.67 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -66.52 -62.51 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.404 . . . . 0.0 110.823 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -72.29 -9.75 58.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.815 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.42 -40.54 94.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.734 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.8 tpt -61.03 -46.2 91.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.441 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD22 ' CG2' ' A' ' 101' ' ' ILE . 87.4 mt -64.44 -42.93 95.72 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.513 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.83 -46.17 90.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.337 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -57.7 -49.81 75.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.675 1.226 . . . . 0.0 109.882 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -63.06 -64.75 0.82 Allowed 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 112.495 -2.139 . . . . 0.0 111.215 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.433 ' SG ' HD22 ' A' ' 41' ' ' LEU . 1.8 t -50.49 -48.85 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.031 0.443 . . . . 0.0 111.225 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.46 -49.53 76.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.344 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.62 -16.55 0.65 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.262 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.3 mtt -114.7 -1.37 13.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.84 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.13 -13.7 16.69 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.158 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' TYR . 52.9 ttt180 -59.99 -64.58 0.9 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.586 0.708 . . . . 0.0 109.388 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.547 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 2.9 p-10 -45.68 -24.34 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.62 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.407 ' N ' ' C ' ' A' ' 18' ' ' ARG . 39.6 m-85 -90.61 98.77 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.526 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.607 ' C ' ' H ' ' A' ' 23' ' ' VAL . 53.0 mp0 -68.87 176.99 2.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.591 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 23.0 t-80 61.45 -1.99 0.27 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.607 ' H ' ' C ' ' A' ' 21' ' ' GLU . 58.9 t -126.16 130.65 72.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.121 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -145.38 107.31 4.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.1 mt -86.96 87.66 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.553 0.692 . . . . 0.0 112.727 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -92.65 -22.39 19.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.107 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.477 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 12.5 t-20 -148.25 -176.13 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.836 -1.074 . . . . 0.0 108.105 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 58.1 m-85 -106.2 -11.89 15.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.884 0.373 . . . . 0.0 110.431 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -105.05 -72.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.643 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.9 p -61.87 -43.22 99.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.084 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 1.17 3.24 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.776 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.414 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 27.0 m95 -113.03 -2.25 14.26 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.418 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.9 t -63.35 -1.71 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.253 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 36' ' ' MET . 93.1 p -94.13 -25.68 17.04 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.08 -14.48 10.99 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -178.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.591 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 29.8 mtt -66.16 -27.98 68.43 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.567 -0.816 . . . . 0.0 110.274 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.94 -51.43 61.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.291 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -57.5 -36.92 72.15 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.933 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 86.2 m -78.16 -45.6 22.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.056 0.455 . . . . 0.0 111.449 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.81 97.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.663 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD22 ' SG ' ' A' ' 13' ' ' CYS . 66.9 tp -62.3 -44.74 95.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.801 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 44' ' ' LYS . 30.5 mm -66.11 -43.39 92.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.598 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 28.5 t-80 -53.92 -9.86 0.27 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.387 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 42' ' ' ILE . 4.6 tmtm? -84.74 -35.52 22.41 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.454 0.645 . . . . 0.0 111.238 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -84.43 -39.62 18.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.947 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CG ' HD13 ' A' ' 74' ' ' LEU . 16.3 m-85 -124.83 104.17 30.47 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.303 -178.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.524 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.4 Cg_exo -71.57 -30.67 14.61 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.902 1.735 . . . . 0.0 111.813 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.48 5.12 2.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -64.66 -74.07 0.11 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.835 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.408 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.8 p90 -168.84 162.5 11.43 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.658 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -83.54 95.14 8.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -58.39 -21.41 50.24 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.934 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.84 -17.65 43.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.306 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -85.49 -21.6 28.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.38 151.11 36.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.15 165.91 18.97 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.321 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.16 -13.49 21.07 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.285 1.99 . . . . 0.0 110.212 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.4 -42.54 78.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.433 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -89.45 69.45 7.98 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.97 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -74.54 -52.15 12.68 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.456 -0.497 . . . . 0.0 112.158 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -50.96 -47.4 61.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.266 0.555 . . . . 0.0 110.317 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -63.83 -33.8 76.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.102 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.511 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 42.1 t30 -61.95 -42.63 99.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 45.4 m-85 -69.74 -51.8 31.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.785 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -54.93 -42.09 71.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.3 tp -59.53 -49.01 79.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.012 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.65 79.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.071 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.81 -55.64 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.989 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -58.67 -29.6 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.428 HG22 HD12 ' A' ' 74' ' ' LEU . 92.9 m -75.83 -48.98 19.32 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.279 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.429 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -64.16 -29.65 70.75 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 64.2 mm-40 -70.97 -53.3 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.907 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.57 -37.27 80.75 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.495 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.432 HD13 ' CG ' ' A' ' 46' ' ' PHE . 96.9 mt -76.16 -51.43 12.16 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.33 11.08 8.05 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' GLU . 27.8 t70 46.4 38.85 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.957 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 63.9 m -50.03 -164.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.496 -178.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.74 171.48 10.39 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.333 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -132.76 41.95 3.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.159 0.504 . . . . 0.0 109.766 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.99 -23.43 66.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.434 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 mt -116.76 141.82 47.71 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.183 0.516 . . . . 0.0 112.099 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -109.93 133.37 53.25 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.362 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 87' ' ' VAL . 70.3 t -47.89 -52.71 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.506 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -55.89 -44.93 78.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.106 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.37 -44.33 97.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.942 0.401 . . . . 0.0 110.291 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.495 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 8.1 mtp -61.72 -42.69 99.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.482 0.658 . . . . 0.0 109.63 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 83' ' ' VAL . 70.5 t -65.08 -44.11 95.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.075 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -71.63 -47.88 51.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.585 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.91 -50.34 64.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.065 0.46 . . . . 0.0 110.624 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 60.08 28.04 17.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 90' ' ' ALA . 54.8 t -163.47 94.59 1.08 Allowed Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 113.902 -1.499 . . . . 0.0 109.405 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -72.04 178.31 6.1 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.741 1.627 . . . . 0.0 111.477 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.99 131.97 54.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.534 0.683 . . . . 0.0 110.279 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.8 p -50.57 -37.43 39.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.889 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -77.81 -29.67 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.468 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.2 m -66.46 -53.05 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.352 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.9 -44.75 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.4 t80 -58.55 -51.07 71.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.122 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.0 m -58.41 -43.59 88.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.271 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.09 -50.63 72.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.359 0.6 . . . . 0.0 110.225 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.41 ' CG2' HD22 ' A' ' 9' ' ' LEU . 26.6 mm -61.18 -40.69 86.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.155 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -51.25 -61.77 2.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.777 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.68 -46.24 89.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.801 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.436 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 39.6 tp -60.33 -46.0 91.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.657 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -52.29 -46.22 65.83 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.633 0.73 . . . . 0.0 109.472 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -62.74 -37.86 88.26 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.019 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.9 m -60.0 -38.54 82.92 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.836 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.8 mt -70.52 -38.25 74.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.56 -48.64 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.75 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 111' ' ' LYS . 15.3 pt20 -63.38 -41.8 98.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 1.4 tppp? -60.5 -27.83 67.89 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.74 17.04 60.56 Favored Glycine 0 N--CA 1.462 0.424 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.84 -55.96 5.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.446 -0.877 . . . . 0.0 111.007 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.3 t -66.87 -38.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.527 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -76.3 71.22 2.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.499 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 96.6 m -71.14 -50.16 36.42 Favored 'General case' 0 N--CA 1.46 0.067 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.527 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -141.8 73.92 1.43 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.975 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -105.77 141.71 36.75 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.52 -179.845 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -69.95 -27.2 25.84 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.291 1.994 . . . . 0.0 110.493 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.2 -6.17 59.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.162 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.17 63.92 0.54 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -68.91 -45.38 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.932 0.396 . . . . 0.0 111.183 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -100.7 0.14 38.45 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.642 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -66.49 -40.48 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.242 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.0 tpt -57.19 -49.4 76.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.287 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 98' ' ' TYR . 87.0 mt -64.98 -44.11 90.4 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.18 0.515 . . . . 0.0 110.644 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.09 -46.9 88.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.548 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.75 -53.7 54.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.532 1.158 . . . . 0.0 109.776 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -54.2 -60.33 3.48 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.384 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' THR . 6.3 t -54.17 -47.09 72.38 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.956 0.407 . . . . 0.0 110.792 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -59.15 -46.87 87.23 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.483 0.659 . . . . 0.0 110.654 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 -23.94 50.01 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.457 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.5 mtm -119.07 -4.38 10.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.155 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' CYS . 97.0 m -107.2 -11.04 15.69 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.516 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' C ' ' N ' ' A' ' 20' ' ' TYR . 62.0 ttm-85 -70.45 -48.91 53.67 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.466 0.65 . . . . 0.0 109.281 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -47.54 -22.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.773 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.449 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 27.5 m-85 -88.88 107.68 19.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.957 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.542 ' C ' ' H ' ' A' ' 23' ' ' VAL . 47.2 mp0 -68.97 172.09 7.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.553 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.565 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 23.5 t-80 63.52 -0.98 0.63 Allowed 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.542 ' H ' ' C ' ' A' ' 21' ' ' GLU . 57.4 t -128.94 129.68 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.947 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 30.4 p-10 -148.56 110.37 4.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.487 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.97 103.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.549 0.69 . . . . 0.0 112.762 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.578 ' H ' ' CB ' ' A' ' 31' ' ' SER . 57.5 tt0 -104.08 -14.68 15.81 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.937 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 58.9 t30 -175.45 -169.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.344 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.417 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 57.4 m-85 -101.3 -11.21 19.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.022 0.439 . . . . 0.0 110.439 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.4 m -108.48 -68.33 0.92 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.378 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -60.06 -44.73 94.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.072 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.578 ' CB ' ' H ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -71.71 0.84 7.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.775 -178.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.417 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 34.9 m95 -115.49 -7.69 12.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.629 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -56.61 -24.75 50.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.411 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.2 m -76.35 -22.91 54.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.537 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.17 -11.43 23.1 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 108.712 -1.755 . . . . 0.0 108.712 -178.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.48 ' H ' ' C ' ' A' ' 34' ' ' SER . 57.8 mmm -63.56 -29.8 71.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.491 -0.855 . . . . 0.0 110.193 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.51 -53.2 58.35 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.837 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.39 -45.65 84.26 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.109 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 7.0 m -65.57 -46.35 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.165 0.507 . . . . 0.0 111.113 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.09 98.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.319 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD13 ' SG ' ' A' ' 13' ' ' CYS . 56.0 tp -62.7 -44.4 96.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.6 mm -66.25 -43.95 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.529 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.449 ' CG ' ' HH ' ' A' ' 20' ' ' TYR . 28.1 t-80 -56.16 -12.43 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.461 . . . . 0.0 111.267 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -79.17 -38.64 35.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.689 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -83.26 -37.92 22.87 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.429 ' CG ' HD13 ' A' ' 74' ' ' LEU . 13.4 m-85 -123.42 106.76 32.58 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.471 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -71.84 -29.34 15.55 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 121.912 1.741 . . . . 0.0 111.943 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -68.04 -16.07 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.69 -77.67 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.167 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -169.68 162.96 9.95 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.54 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -83.0 95.14 7.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.052 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 26.9 t80 -61.04 -20.71 62.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.29 -17.62 51.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.583 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -87.55 -14.52 39.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.589 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.9 mt -81.14 149.83 28.97 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.221 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 58' ' ' ALA . 71.9 m-20 -124.78 145.78 50.86 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.23 -11.43 1.08 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.91 1.74 . . . . 0.0 110.161 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.461 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.92 -43.45 68.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.012 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.06 75.97 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.137 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -83.14 -49.57 9.35 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -51.11 -45.57 61.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.245 0.545 . . . . 0.0 110.107 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.36 -34.72 77.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.643 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 29.0 t30 -61.2 -42.22 98.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.799 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.503 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 54.9 m-85 -69.45 -54.02 16.36 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.816 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.477 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.6 m -56.01 -42.62 76.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HA ' ' HG ' ' A' ' 69' ' ' SER . 50.8 tp -61.47 -47.65 84.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.847 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.409 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.06 -37.14 78.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.266 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -82.48 -48.79 10.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.779 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.406 ' HG ' ' HA ' ' A' ' 66' ' ' LEU . 87.9 p -63.31 -31.08 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.704 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -76.33 -50.27 14.71 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.44 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.449 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -65.23 -31.66 72.93 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.557 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 79.5 tt0 -69.96 -50.27 43.52 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.773 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -62.83 -35.99 81.72 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.4 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.429 HD13 ' CG ' ' A' ' 46' ' ' PHE . 99.0 mt -76.81 -47.3 21.89 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.454 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.01 9.2 8.09 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 97.1 m-20 47.03 37.63 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.939 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.5 m -49.38 -164.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.615 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.03 169.02 13.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.493 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.76 37.4 3.96 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.065 0.459 . . . . 0.0 110.055 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.54 -21.84 64.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.49 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -110.59 142.62 42.17 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.11 0.481 . . . . 0.0 112.002 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -114.45 131.99 56.42 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.377 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.477 HG21 ' OG1' ' A' ' 65' ' ' THR . 65.2 t -48.93 -54.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.686 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -54.39 -45.97 73.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.445 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.35 -44.89 95.12 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.503 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 12.8 mtp -62.72 -44.2 96.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.476 0.655 . . . . 0.0 109.753 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.2 t -69.03 -42.34 82.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.077 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -71.46 -47.04 58.23 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 77.4 mt -64.54 -51.41 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.459 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 66.48 21.24 10.83 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 90' ' ' ALA . 53.9 t -162.93 92.59 1.2 Allowed Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 113.707 -1.588 . . . . 0.0 109.445 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -71.95 179.91 4.44 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 C-N-CA 121.783 1.655 . . . . 0.0 111.404 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -113.19 128.77 56.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.194 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.9 m -49.37 -33.95 14.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.023 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' O ' HG22 ' A' ' 99' ' ' THR . 55.4 tttp -72.81 -36.34 67.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 30.0 m -67.02 -42.51 84.78 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.388 0.614 . . . . 0.0 110.383 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.19 -44.82 80.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 23.7 t80 -60.7 -52.79 63.61 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.661 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 100' ' ' TYR . 15.0 t -61.62 -40.57 95.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.914 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.466 ' N ' HG23 ' A' ' 99' ' ' THR . 58.9 t80 -62.78 -51.66 66.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.189 0.519 . . . . 0.0 110.158 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 105' ' ' TYR . 24.0 mm -59.48 -36.72 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.307 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -54.41 -57.84 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.426 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.15 -46.61 87.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.592 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.37 -44.21 97.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' ILE . 89.3 t80 -53.74 -48.76 69.34 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.785 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -59.0 -43.62 91.52 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.834 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.8 m -57.28 -37.69 72.78 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.932 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.31 -40.11 81.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.425 HG13 ' NZ ' ' A' ' 115' ' ' LYS . 56.8 t -62.16 -48.48 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.012 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -64.34 -43.53 94.32 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.533 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -60.02 -27.09 66.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.228 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.46 17.58 60.18 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.1 mt -75.19 -45.6 39.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.952 -0.624 . . . . 0.0 111.043 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.86 -38.94 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.442 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.425 ' NZ ' HG13 ' A' ' 109' ' ' VAL . 64.5 mttp -84.18 66.52 9.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.536 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.6 m -66.89 -56.46 10.2 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.24 0.543 . . . . 0.0 111.63 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.99 127.83 33.13 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.621 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -44.0 146.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.378 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.486 -179.441 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.461 ' O ' ' ND2' ' A' ' 7' ' ' ASN . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.52 ' C ' ' H ' ' A' ' 4' ' ' GLY . 2.4 Cg_endo -70.9 -16.36 32.77 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.424 2.083 . . . . 0.0 109.968 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.85 14.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.566 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.52 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -121.24 126.73 6.67 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -61.63 -58.72 6.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.929 0.395 . . . . 0.0 110.579 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -54.35 -22.01 11.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.451 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 1' ' ' GLY . 12.7 t-20 -63.4 -41.51 98.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.049 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -59.95 -49.45 77.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.36 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.444 HD22 ' CG2' ' A' ' 101' ' ' ILE . 91.7 mt -66.84 -40.91 88.1 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.571 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.92 -48.38 80.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.633 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.02 -49.85 72.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.689 1.233 . . . . 0.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -60.15 -60.04 4.45 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.261 -2.245 . . . . 0.0 111.443 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.8 m -52.48 -46.43 66.57 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.967 0.413 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -60.93 -46.74 89.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.359 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.25 -16.06 0.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.248 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.08 -1.88 12.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.098 -177.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -89.77 -13.6 36.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.187 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -67.24 -37.31 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.782 0.801 . . . . 0.0 110.183 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.26 -37.32 85.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.459 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.458 ' OH ' ' C ' ' A' ' 43' ' ' HIS . 96.1 m-85 -93.68 156.09 16.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.234 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 23' ' ' VAL . 96.8 mt-10 -119.34 172.75 7.39 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.652 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.621 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 31.9 t-80 62.82 3.98 1.33 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.496 ' H ' ' C ' ' A' ' 21' ' ' GLU . 69.4 t -123.55 126.33 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.095 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -141.88 108.1 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.796 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -86.52 88.27 2.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.491 0.662 . . . . 0.0 112.389 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -94.58 -24.48 17.21 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.927 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -148.49 -173.73 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.261 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.439 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 67.2 m-85 -107.33 -11.63 15.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 0.0 110.581 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 p -104.85 -73.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -60.77 -44.12 97.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.504 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.4 m -69.43 1.43 3.95 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.008 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.439 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 30.3 m95 -114.43 -3.71 13.0 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.708 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 t -62.27 -5.67 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.275 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 36' ' ' MET . 2.4 m -93.18 -26.13 17.53 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 79.65 -14.94 15.75 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -177.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.472 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.8 mmm -61.83 -25.92 67.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.506 -0.847 . . . . 0.0 110.313 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.14 -50.14 50.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.914 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -57.65 -46.25 84.43 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.21 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.524 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 2.4 m -69.43 -45.48 69.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.13 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.48 98.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.168 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.73 -44.63 95.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.873 0.368 . . . . 0.0 110.587 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 42' ' ' ILE . 8.7 mm -66.87 -44.5 88.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 59.9 t-80 -54.03 -10.56 0.35 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.028 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 42' ' ' ILE . 7.1 tmtm? -81.74 -35.98 29.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.927 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.98 -23.03 17.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.555 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CD1' HD13 ' A' ' 74' ' ' LEU . 99.5 m-85 -125.29 99.5 33.73 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.449 -178.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.06 -39.69 1.11 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.842 1.695 . . . . 0.0 111.695 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -62.76 -13.99 39.43 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.8 -75.17 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 114.355 -1.293 . . . . 0.0 112.243 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 6.9 p90 -170.24 166.13 8.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.715 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -84.79 96.37 9.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -61.56 -21.73 64.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.868 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.51 -13.16 59.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.448 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -89.53 -19.71 24.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 120.947 0.403 . . . . 0.0 110.485 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.2 mt -79.41 150.8 31.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.12 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' ALA . 1.4 m-20 -124.69 145.44 49.57 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.109 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -50.61 -11.22 0.35 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.194 1.929 . . . . 0.0 109.904 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -80.77 -8.45 59.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.029 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -114.22 53.52 0.79 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.136 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -69.53 -49.79 51.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.529 ' NH2' ' CE1' ' A' ' 62' ' ' HIS . 69.1 ttp85 -54.98 -46.69 75.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.291 0.567 . . . . 0.0 110.238 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' CE1' ' NH2' ' A' ' 61' ' ' ARG . 30.1 m80 -66.26 -34.6 78.37 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.278 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.524 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 26.2 t-20 -63.48 -41.61 98.58 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.375 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 50.1 m-85 -68.67 -54.98 13.02 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.867 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.464 ' OG1' HG21 ' A' ' 83' ' ' VAL . 10.6 m -56.05 -44.2 78.61 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.83 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD21 ' CG ' ' A' ' 50' ' ' PHE . 51.8 tp -59.82 -48.29 82.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.222 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.87 79.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.028 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 44.9 m-85 -80.55 -51.39 8.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -61.36 -30.72 70.7 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.0 m -76.07 -50.01 15.91 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.468 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -30.83 71.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 76' ' ' ASP . 84.4 tt0 -70.91 -52.18 21.6 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.604 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.97 -38.91 87.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.669 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.449 HD13 ' CD1' ' A' ' 46' ' ' PHE . 91.2 mt -79.63 -45.58 18.83 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' CG ' ' A' ' 76' ' ' ASP . . . -123.9 5.89 8.69 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 72' ' ' GLU . 3.7 p-10 44.3 41.87 4.76 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.114 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.4 p -58.21 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.52 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.76 170.87 12.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.199 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -133.37 41.14 3.11 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 109.989 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.44 -23.16 66.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.498 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -115.03 143.59 44.94 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 121.272 0.558 . . . . 0.0 112.252 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 97.3 mt-10 -112.91 143.16 44.65 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.298 178.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.464 HG21 ' OG1' ' A' ' 65' ' ' THR . 80.6 t -58.12 -51.96 64.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.366 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -53.99 -45.39 71.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.435 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.4 OUTLIER -65.5 -42.92 91.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.078 0.466 . . . . 0.0 110.384 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.566 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.2 mtp -62.24 -44.59 96.22 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.397 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.25 -41.95 81.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.7 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -71.25 -48.5 50.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.811 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.9 -51.71 60.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 0.0 110.25 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 61.72 24.52 14.61 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 90' ' ' ALA . 74.3 t -162.08 89.19 1.44 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.581 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.14 -175.14 1.82 Allowed 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.925 1.75 . . . . 0.0 111.255 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -119.15 129.63 55.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.237 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.0 t -47.66 -31.94 5.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.967 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -75.43 -34.78 61.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.374 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -66.75 -54.02 27.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.115 0.483 . . . . 0.0 110.968 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.52 -43.87 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -58.28 -50.79 72.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.224 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.1 m -58.44 -41.7 85.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.119 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -62.15 -51.37 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.442 0.639 . . . . 0.0 110.316 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' TYR . 29.4 mm -61.42 -41.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.084 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -50.41 -62.03 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.653 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.88 -46.23 89.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.751 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.41 -45.21 94.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.742 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 101' ' ' ILE . 79.8 t80 -53.64 -47.44 70.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.535 0.684 . . . . 0.0 109.367 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -61.83 -37.71 85.46 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.974 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.3 t -60.63 -41.52 95.02 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.688 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 26.8 mt -68.04 -37.81 81.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.99 0.424 . . . . 0.0 111.235 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.43 -48.4 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -65.49 -41.33 93.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -61.94 -28.18 69.35 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.278 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.44 16.18 59.17 Favored Glycine 0 N--CA 1.463 0.49 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.5 mt -72.96 -43.59 62.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.442 -0.879 . . . . 0.0 110.923 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.4 -32.29 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.277 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -75.43 49.3 0.47 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.881 0.372 . . . . 0.0 110.524 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.3 m -73.09 -15.23 61.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.516 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -118.19 130.07 55.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -135.65 121.1 19.27 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt . . . . . 0 C--O 1.222 -0.374 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.44 -179.654 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -56.03 -19.95 28.38 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.179 1.919 . . . . 0.0 109.732 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -81.38 -17.1 50.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.77 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.52 15.59 75.37 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' MET . 69.6 m -53.05 -55.12 26.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.788 0.328 . . . . 0.0 110.622 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -45.62 -25.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.706 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -64.77 -38.73 91.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.863 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 17.7 tpt -59.68 -49.16 78.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.481 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.42 -44.52 94.37 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.052 0.453 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.57 -47.19 86.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.44 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.83 -53.64 55.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 122.597 1.189 . . . . 0.0 109.953 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -53.83 -61.29 2.4 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 112.661 -2.063 . . . . 0.0 111.462 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 m -53.13 -44.59 67.82 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.968 0.413 . . . . 0.0 110.896 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' MET . 58.6 ttp180 -60.65 -56.25 23.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.674 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.44 -15.08 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.415 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 14' ' ' ARG . 54.0 mtm -120.27 -4.18 9.97 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -95.38 -12.85 25.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -66.15 -47.15 75.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.646 0.736 . . . . 0.0 109.435 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -49.39 -28.57 5.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.683 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -93.65 153.81 18.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 23' ' ' VAL . 95.8 mt-10 -114.6 172.23 7.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.95 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.604 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 50.7 t-80 60.83 6.47 1.19 Allowed 'General case' 0 C--N 1.334 -0.072 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 21' ' ' GLU . 70.1 t -121.92 127.7 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.336 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' O ' ' OG ' ' A' ' 31' ' ' SER . 25.0 t0 -140.88 104.09 4.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.482 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.9 mt -88.36 79.28 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.397 0.618 . . . . 0.0 112.513 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -99.73 -8.83 23.77 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.796 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -157.01 174.11 16.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.508 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.446 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 73.7 m-85 -101.92 -10.13 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.99 0.424 . . . . 0.0 110.48 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -102.86 -73.11 0.67 Allowed 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 p -58.04 -42.76 86.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 43.4 m -72.42 1.97 7.02 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.189 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 38.1 m95 -116.19 -10.52 11.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.663 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -58.41 -18.46 28.38 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.474 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 36' ' ' MET . 5.4 m -88.01 -21.44 24.8 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.54 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.413 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.8 -10.7 23.87 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 108.951 -1.66 . . . . 0.0 108.951 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.455 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.9 mmm -60.08 -28.17 67.6 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.778 -0.711 . . . . 0.0 110.074 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.57 -49.12 51.22 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.683 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.13 -46.8 85.0 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.069 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 8.1 m -69.03 -45.5 70.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.402 . . . . 0.0 111.011 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.17 98.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.406 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.95 -44.38 96.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.875 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.406 ' C ' ' H ' ' A' ' 44' ' ' LYS . 5.9 mm -66.54 -44.43 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.753 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 26.6 t-80 -54.65 -10.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.298 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 42' ' ' ILE . 35.1 tptt -80.52 -36.16 33.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.608 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -96.84 -20.78 17.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.859 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.422 ' CD1' HD13 ' A' ' 74' ' ' LEU . 98.9 m-85 -126.41 99.82 30.0 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.47 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -74.59 -35.26 3.7 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.912 1.741 . . . . 0.0 111.862 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -70.44 -2.48 13.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.27 -75.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.189 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.4 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.2 p90 -170.73 164.11 8.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.637 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -85.99 96.51 9.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -60.75 -21.83 63.4 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.58 -12.87 59.45 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.472 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -95.0 -16.26 22.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.926 0.393 . . . . 0.0 110.613 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.7 mt -80.18 155.64 27.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.138 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.96 162.42 37.19 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.507 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -73.5 -16.59 24.23 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.062 1.842 . . . . 0.0 110.328 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.61 74.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.439 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -84.69 52.34 2.37 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.059 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -65.42 -43.04 91.78 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HG2' HG21 ' A' ' 87' ' ' VAL . 82.2 mtp180 -53.14 -47.36 68.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.221 0.534 . . . . 0.0 110.29 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -67.13 -35.48 79.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.788 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.514 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 20.4 t-20 -62.13 -43.29 99.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.641 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 46.9 m-85 -67.43 -55.38 13.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.781 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.474 ' OG1' HG21 ' A' ' 83' ' ' VAL . 15.1 m -54.83 -42.74 72.28 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.59 -48.92 79.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.339 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.4 77.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.187 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 48.1 m-85 -79.86 -49.73 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.4 m -62.12 -30.26 70.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.9 m -77.42 -45.69 25.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.613 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -64.91 -35.26 80.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' ASP . 40.5 tt0 -71.1 -49.73 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.897 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.29 -40.8 97.48 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.916 -0.713 . . . . 0.0 110.925 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.422 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.5 mt -86.99 -33.09 19.72 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -125.85 0.01 7.33 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 72' ' ' GLU . 68.3 m-20 46.73 37.03 4.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.813 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' ASP . 30.1 p -49.43 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.621 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.43 171.89 9.41 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.38 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -126.25 67.85 1.21 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -103.73 -22.41 13.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.434 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.28 139.52 46.61 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.225 0.536 . . . . 0.0 112.175 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -113.83 128.25 56.33 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.231 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 87' ' ' VAL . 77.4 t -46.69 -53.41 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.6 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -54.25 -45.26 72.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.265 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.71 -43.23 99.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.308 0.575 . . . . 0.0 110.112 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.579 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 12.5 mtp -63.23 -43.03 99.2 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.371 0.605 . . . . 0.0 110.01 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 83' ' ' VAL . 55.4 t -61.38 -51.91 67.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.951 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.519 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 13.0 ptm180 -69.94 -45.65 67.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.891 0.377 . . . . 0.0 111.288 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.519 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 35.6 mt -53.13 -63.22 1.22 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.149 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 89' ' ' LEU . . . 68.16 17.96 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 91' ' ' VAL . 69.8 t -159.64 60.61 1.56 Allowed Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.671 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.456 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.9 Cg_endo -43.98 174.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.042 1.828 . . . . 0.0 111.483 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 92.1 m-20 -106.41 125.81 51.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.945 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.8 p -53.12 -33.86 54.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.36 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -68.62 -43.59 76.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.596 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 1.8 p -62.56 -44.9 95.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.344 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.591 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 97.3 t -61.38 -45.85 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 15.0 t80 -60.6 -50.78 72.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.134 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.2 m -58.9 -42.92 90.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.623 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -62.02 -50.24 72.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.421 0.629 . . . . 0.0 110.158 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.9 mm -61.63 -40.44 86.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -53.51 -58.68 6.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -58.72 -42.97 89.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.869 0.842 . . . . 0.0 109.957 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.94 -39.79 87.4 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.927 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 101' ' ' ILE . 78.3 t80 -56.45 -51.37 68.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 107' ' ' SER . 16.6 ptm180 -63.84 -36.24 83.25 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.956 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 19.3 m -60.97 -37.7 83.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.65 -37.97 80.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.651 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.76 -48.26 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 111' ' ' LYS . 11.8 pt20 -61.8 -44.99 95.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 60.0 mttp -60.19 -25.25 65.43 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.225 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.06 16.72 62.46 Favored Glycine 0 N--CA 1.465 0.573 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.57 -45.86 50.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.773 -0.714 . . . . 0.0 110.998 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.67 -38.07 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.019 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -104.8 111.36 24.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.95 0.405 . . . . 0.0 110.329 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.31 -44.66 6.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.28 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -62.07 -79.25 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.464 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -68.81 173.14 5.54 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.577 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.487 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -73.44 -72.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.098 1.865 . . . . 0.0 110.342 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.81 -45.04 65.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.676 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' ND2' ' A' ' 7' ' ' ASN . . . 97.4 163.77 31.86 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 m -47.2 -30.32 2.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.95 0.405 . . . . 0.0 110.409 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.49 -2.04 2.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.681 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 8' ' ' MET . 18.7 p30 -66.23 -38.53 88.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.173 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.509 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 0.9 OUTLIER -59.0 -48.28 82.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.319 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.44 -44.35 91.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.701 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.38 -46.82 88.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.347 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -58.99 -53.67 55.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.641 1.21 . . . . 0.0 110.087 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.11 -61.49 2.28 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 112.62 -2.082 . . . . 0.0 110.789 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.2 t -52.45 -44.05 65.28 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.051 0.453 . . . . 0.0 110.72 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.74 -44.13 97.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.376 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.19 -22.52 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.952 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mtt -105.91 -9.68 17.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.551 ' OG1' HD12 ' A' ' 25' ' ' ILE . 25.2 m -79.49 -15.32 57.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.06 0.457 . . . . 0.0 111.46 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -64.8 -41.01 96.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.43 0.633 . . . . 0.0 109.733 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.01 -36.51 84.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.441 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.52 ' OH ' ' N ' ' A' ' 44' ' ' LYS . 70.3 m-85 -92.62 150.2 20.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.008 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 23' ' ' VAL . 12.7 pt-20 -118.99 176.8 5.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.356 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.6 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 53.9 t-80 63.52 5.4 2.11 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-O 121.795 0.807 . . . . 0.0 108.832 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.434 ' H ' ' C ' ' A' ' 21' ' ' GLU . 78.8 t -123.8 129.21 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.885 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -137.08 104.98 5.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.722 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.551 HD12 ' OG1' ' A' ' 17' ' ' THR . 93.5 mt -80.54 91.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 112.673 -178.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -99.95 -25.13 14.43 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.762 -1.108 . . . . 0.0 108.798 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.819 HD21 ' H ' ' A' ' 30' ' ' SER . 52.5 p-10 -156.56 -172.75 4.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.336 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 54.1 m-85 -103.2 -8.32 20.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.058 0.456 . . . . 0.0 110.592 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -102.75 -74.99 0.62 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.819 ' H ' HD21 ' A' ' 27' ' ' ASN . 7.1 t -60.9 -42.27 97.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.498 -178.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.9 m -70.73 -1.43 11.43 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.195 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.483 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.0 m95 -112.6 -5.92 13.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.739 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 t -61.21 -5.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.533 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 36' ' ' MET . 91.6 p -93.16 -24.06 18.36 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.62 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.96 -12.32 24.37 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.46 ' H ' ' C ' ' A' ' 34' ' ' SER . 33.1 mmm -62.8 -31.1 72.02 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.807 -0.697 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -52.68 61.72 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.827 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -57.79 -45.35 86.18 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.13 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 11.1 m -65.81 -47.57 74.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.991 0.424 . . . . 0.0 111.282 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -63.06 -42.19 99.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.414 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.09 -44.19 96.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.021 0.438 . . . . 0.0 110.979 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.8 mm -66.2 -42.91 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.74 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -54.11 -48.18 71.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.831 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.52 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 6.1 tmtt? -45.27 -34.08 2.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.658 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.8 m-85 -94.15 -28.92 15.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.863 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.5 m-85 -121.9 99.93 43.75 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.354 -178.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.554 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_endo -75.25 -38.69 1.38 Allowed 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.971 1.781 . . . . 0.0 111.904 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -72.2 11.44 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.542 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.554 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -75.41 -71.65 0.35 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.788 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -169.97 163.13 9.42 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.598 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -85.65 96.67 9.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -58.15 -22.43 51.13 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.954 0.407 . . . . 0.0 110.921 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.47 -16.83 53.39 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -88.43 -15.84 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.3 mt -82.98 154.39 24.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.181 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -126.14 161.47 51.63 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.463 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -74.34 -9.88 21.98 Favored 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 122.019 1.813 . . . . 0.0 110.005 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.29 76.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.598 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -95.2 71.82 3.3 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.87 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.59 -46.51 59.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.092 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -50.78 -56.96 9.65 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.325 0.584 . . . . 0.0 110.965 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -57.92 -35.71 71.46 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.542 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 t-20 -62.37 -42.67 99.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.549 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 50.6 m-85 -69.83 -52.1 27.93 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.6 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -56.61 -44.32 81.02 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.77 -46.28 91.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.182 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -62.41 -38.76 90.92 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.267 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -81.01 -51.65 8.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.111 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.8 m -60.39 -27.86 67.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.693 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.454 HG22 HD12 ' A' ' 74' ' ' LEU . 97.3 m -78.78 -47.64 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.447 178.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.49 75.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.76 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' ASP . 82.1 tt0 -73.36 -50.18 23.31 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.783 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.22 -40.96 91.99 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.632 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.454 HD12 HG22 ' A' ' 70' ' ' THR . 93.9 mt -79.31 -43.27 23.95 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 76' ' ' ASP . . . -125.05 6.65 7.93 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 72' ' ' GLU . 4.1 p-10 41.92 46.79 3.59 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.452 0.644 . . . . 0.0 109.998 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.8 t -58.5 -163.3 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.474 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.74 167.87 17.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.326 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -125.14 63.05 1.16 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -96.61 -22.94 16.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.669 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.1 mt -114.93 137.31 52.14 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.2 0.524 . . . . 0.0 112.171 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.64 139.18 47.3 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.962 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 87' ' ' VAL . 72.9 t -58.18 -51.61 68.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.629 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.71 -44.77 73.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.009 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.02 -42.69 97.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.411 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.8 mtp -62.39 -42.52 99.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.332 0.587 . . . . 0.0 109.45 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' VAL . 69.5 t -64.8 -44.87 96.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.949 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -72.6 -47.64 46.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.863 0.363 . . . . 0.0 111.737 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 54.6 mt -56.6 -60.12 4.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.228 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 66.17 19.36 11.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 90' ' ' ALA . 73.9 t -161.91 88.19 1.5 Allowed Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 113.692 -1.594 . . . . 0.0 109.358 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -72.73 -174.36 1.47 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 121.879 1.719 . . . . 0.0 111.444 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.495 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 57.4 t0 -123.69 130.48 52.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.6 p -48.81 -31.48 7.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.081 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -71.12 -40.77 71.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.731 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 4.0 p -66.09 -47.76 73.15 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.73 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.629 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 84.1 t -64.37 -44.14 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 26.4 t80 -59.67 -51.0 71.68 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.173 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.5 m -57.85 -44.31 86.46 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.94 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -62.05 -49.85 74.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.293 0.568 . . . . 0.0 110.035 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.5 mm -60.86 -41.43 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.896 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -51.43 -61.54 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.61 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.64 -45.57 89.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.628 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.5 -44.33 96.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.383 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 81.2 t80 -53.74 -48.74 69.38 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.733 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -59.94 -43.57 94.89 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.085 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.5 p -60.11 -37.45 80.03 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.986 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.14 -39.68 82.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.11 -49.72 82.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -62.12 -45.67 92.43 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -58.5 -27.85 64.85 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.274 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.81 17.29 58.38 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.4 mt -73.85 -44.3 55.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.784 -0.708 . . . . 0.0 111.044 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.0 t -63.41 -37.93 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.122 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -87.62 59.08 5.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.835 0.35 . . . . 0.0 110.233 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.1 m -73.07 -54.23 9.07 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.194 0.521 . . . . 0.0 111.57 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -144.81 145.09 31.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.133 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 119' ' ' LYS . 56.9 mtpt -73.18 151.49 41.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' LYS . 23.2 pttm . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.859 -1.067 . . . . 0.0 111.157 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.487 2.066 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -72.7 32.86 0.29 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.291 1.994 . . . . 0.0 110.226 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' H ' ' C ' ' A' ' 1' ' ' GLY . 88.0 mt -78.6 -0.63 30.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.352 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.17 39.1 95.95 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -67.7 -66.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.009 0.433 . . . . 0.0 110.705 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -100.79 0.71 39.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.518 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -66.28 -40.8 90.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.154 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 tpt -58.48 -51.0 71.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.545 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 ' CE2' ' A' ' 98' ' ' TYR . 88.7 mt -64.71 -43.37 93.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.465 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.93 -47.48 84.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.451 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.04 -50.88 71.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.671 1.224 . . . . 0.0 109.716 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.436 ' O ' ' CE ' ' A' ' 16' ' ' MET . 82.2 t90 -59.39 -60.94 3.05 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.478 -2.146 . . . . 0.0 111.266 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.2 m -51.71 -44.56 63.22 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.127 0.489 . . . . 0.0 110.79 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 16' ' ' MET . 77.0 ttt-85 -63.03 -49.67 73.68 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.28 -12.72 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.428 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' ARG . 1.9 mpp? -110.97 -17.38 13.31 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.606 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' ARG . 48.2 m -70.09 -15.78 63.03 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.299 0.375 . . . . 0.0 111.482 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -65.96 -36.16 82.58 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.582 0.706 . . . . 0.0 109.932 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -67.23 -38.75 85.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.643 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -95.53 155.37 16.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.84 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 23' ' ' VAL . 98.0 mt-10 -119.16 174.51 6.29 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.611 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 51.0 t-80 60.99 6.35 1.21 Allowed 'General case' 0 C--O 1.227 -0.108 0 CA-C-O 122.082 0.944 . . . . 0.0 108.577 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.48 ' H ' ' C ' ' A' ' 21' ' ' GLU . 74.8 t -122.66 127.39 74.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.862 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 31' ' ' SER . 70.2 m-20 -136.57 105.75 6.01 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.194 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CD1' ' OG1' ' A' ' 17' ' ' THR . 45.1 mt -85.64 83.65 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 121.43 0.633 . . . . 0.0 111.956 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -99.1 -21.69 16.05 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.077 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 31' ' ' SER . 4.8 p30 -148.98 179.56 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.289 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.411 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 64.1 m-85 -104.37 -9.05 18.77 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.146 0.498 . . . . 0.0 110.405 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 30' ' ' SER . 93.0 p -102.55 -72.99 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.839 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.452 ' N ' ' OG ' ' A' ' 29' ' ' SER . 67.4 m -59.54 -42.26 91.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.498 -178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 16.8 t -71.51 2.39 5.13 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.17 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.411 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 34.6 m95 -116.99 -7.67 11.33 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.656 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -56.54 -31.58 64.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.465 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.1 m -72.51 -22.85 60.98 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.0 -11.42 21.99 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.577 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 60.1 mtp -62.46 -27.19 68.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.424 -0.888 . . . . 0.0 110.071 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.8 -50.0 53.91 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.482 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.93 -46.3 88.3 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.105 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 3.8 m -65.57 -47.12 76.87 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.013 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.52 98.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.363 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.39 -43.12 98.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.046 0.451 . . . . 0.0 110.89 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 mm -65.99 -39.99 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.573 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -57.26 -42.28 81.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -49.15 -36.68 19.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.135 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -93.73 -29.57 15.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.085 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CD1' HD13 ' A' ' 74' ' ' LEU . 99.1 m-85 -120.93 100.51 46.04 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.92 -40.92 0.77 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.876 1.718 . . . . 0.0 111.707 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -63.11 -11.12 17.75 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.16 -75.64 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.076 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -169.07 163.47 11.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.64 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -83.64 95.3 8.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -60.93 -19.46 60.69 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.071 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.54 -13.69 57.77 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.566 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -95.42 -15.21 23.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.645 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.6 mt -81.84 153.03 26.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.949 0.404 . . . . 0.0 111.003 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -123.41 165.58 22.21 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.326 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -74.37 -12.16 22.86 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.301 2.001 . . . . 0.0 110.042 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.39 80.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -86.44 60.18 6.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -69.84 -51.17 35.74 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -52.02 -49.29 63.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.307 0.575 . . . . 0.0 110.196 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -64.77 -33.42 75.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.509 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 20.9 t-20 -62.15 -41.27 98.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.671 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 26.6 m-85 -69.49 -53.58 18.44 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.742 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.465 ' OG1' HG21 ' A' ' 83' ' ' VAL . 18.5 m -53.88 -41.5 67.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.39 -50.01 75.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.058 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.02 -36.06 72.16 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.962 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -82.56 -52.84 6.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.272 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 m -59.74 -31.41 69.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.035 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -76.97 -50.89 12.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.235 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.35 71.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.817 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 76' ' ' ASP . 65.0 mm-40 -71.2 -50.98 27.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.698 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.38 -38.79 88.29 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.68 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 46' ' ' PHE . 96.4 mt -79.8 -42.98 23.28 Favored 'General case' 0 CA--C 1.53 0.212 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.475 ' O ' ' CG ' ' A' ' 76' ' ' ASP . . . -127.36 6.29 6.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 72' ' ' GLU . 3.1 p30 43.19 42.81 3.65 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.339 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.4 p -57.31 -162.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.402 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.32 169.56 13.61 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.235 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -129.13 43.24 3.18 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.08 -24.86 64.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.392 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mt -112.87 140.12 47.93 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.126 0.488 . . . . 0.0 112.207 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 80.8 mm-40 -114.56 126.81 55.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.378 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.465 HG21 ' OG1' ' A' ' 65' ' ' THR . 89.6 t -43.66 -51.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.283 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -52.73 -45.56 67.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.38 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -68.51 -40.71 80.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.088 0.47 . . . . 0.0 110.311 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 8.6 mtp -61.7 -45.43 94.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.716 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.9 -42.71 85.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.933 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -70.85 -47.61 58.39 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -64.44 -51.44 63.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.273 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 62.57 25.31 15.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 90' ' ' ALA . 53.9 t -163.91 92.17 1.08 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.703 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -72.68 -175.02 1.66 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.887 1.725 . . . . 0.0 111.393 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -120.91 131.14 54.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.24 0.543 . . . . 0.0 110.362 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.5 p -48.41 -32.28 7.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.037 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -77.68 -32.42 53.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.486 179.298 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.5 m -67.01 -52.69 39.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.063 0.459 . . . . 0.0 110.588 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.45 -43.58 98.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 17.0 t80 -57.65 -51.21 70.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.376 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 14.7 m -57.9 -42.56 84.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.214 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -61.76 -50.47 72.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.459 0.647 . . . . 0.0 110.138 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 105' ' ' TYR . 27.3 mm -61.36 -40.98 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.053 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.09 -63.59 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.783 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.9 -46.54 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.7 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.42 -45.98 90.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.698 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 101' ' ' ILE . 85.1 t80 -51.84 -46.74 64.47 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.685 0.755 . . . . 0.0 109.55 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -61.81 -38.32 87.69 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.04 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.4 m -61.22 -39.06 88.85 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.123 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.3 mt -68.12 -36.13 79.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.35 -48.38 85.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.35 -47.48 79.15 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -56.96 -29.18 62.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.246 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.76 17.83 55.78 Favored Glycine 0 N--CA 1.464 0.554 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.5 mt -73.29 -44.96 58.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.361 -0.92 . . . . 0.0 111.034 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.24 -35.95 76.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.305 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -100.06 89.08 3.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.012 0.434 . . . . 0.0 110.315 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.41 -34.15 4.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.055 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -145.01 142.05 29.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.028 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -77.3 157.02 30.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.181 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.437 -179.541 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -68.82 -30.38 27.11 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.241 1.961 . . . . 0.0 110.306 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.6 -38.26 83.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.683 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.98 40.16 9.59 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -68.48 -46.05 70.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.918 0.389 . . . . 0.0 110.903 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -99.49 -0.46 40.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -65.37 -41.18 94.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.033 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.9 OUTLIER -60.15 -55.5 33.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.54 -179.555 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD12 ' CE2' ' A' ' 98' ' ' TYR . 36.1 mt -65.46 -41.58 93.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.795 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -62.02 -48.44 80.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.699 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -58.44 -51.24 70.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.593 1.187 . . . . 0.0 110.15 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -55.78 -62.32 1.77 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 112.457 -2.156 . . . . 0.0 111.611 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 14.6 p -50.75 -45.23 58.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.007 0.432 . . . . 0.0 111.396 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.606 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 51.2 ttt85 -61.15 -45.24 95.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.169 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.97 -21.84 1.97 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.389 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mmt -96.5 -3.81 42.6 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.601 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 14' ' ' ARG . 75.7 p -91.49 -13.24 32.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.319 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -65.23 -45.32 85.14 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.589 0.709 . . . . 0.0 109.736 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -65.63 -35.81 81.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.091 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 17' ' ' THR . 37.4 m-85 -90.52 150.38 21.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.795 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 23' ' ' VAL . 12.5 pt-20 -115.14 172.27 7.17 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.61 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.611 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 27.5 t-80 62.38 5.1 1.47 Allowed 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.475 ' H ' ' C ' ' A' ' 21' ' ' GLU . 82.4 t -125.15 128.77 73.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' O ' ' OG ' ' A' ' 31' ' ' SER . 39.8 t0 -147.52 106.29 3.82 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.9 mt -85.29 92.17 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -98.18 -20.76 17.1 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.656 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -152.39 -178.48 6.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.419 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.438 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 53.0 m-85 -102.5 -11.52 18.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.926 0.394 . . . . 0.0 110.427 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 30' ' ' SER . 84.9 p -101.31 -75.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.431 ' N ' ' OG ' ' A' ' 29' ' ' SER . 46.5 m -56.77 -42.59 79.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.693 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 41.1 t -72.93 1.46 8.73 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.382 -178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.438 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.1 m95 -114.15 -10.46 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.597 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -62.23 -7.06 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.433 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.489 ' C ' ' H ' ' A' ' 36' ' ' MET . 6.0 t -91.85 -22.5 20.06 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.66 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.467 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 78.71 -13.37 18.1 Favored Glycine 0 CA--C 1.519 0.292 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.489 ' H ' ' C ' ' A' ' 34' ' ' SER . 49.9 mmm -61.93 -32.15 72.53 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.569 -0.816 . . . . 0.0 110.145 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.12 55.46 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.7 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -58.71 -45.4 89.62 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.186 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.622 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 14.8 p -70.27 -46.07 65.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.003 0.43 . . . . 0.0 111.299 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -64.8 -42.27 95.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.51 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.51 -44.2 96.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.889 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.47 -35.25 71.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.229 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -59.81 -36.99 77.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.139 0.495 . . . . 0.0 110.85 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -54.9 -37.65 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.296 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -90.89 -35.51 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.818 -178.213 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.461 ' CD1' HD13 ' A' ' 74' ' ' LEU . 97.8 m-85 -116.62 103.14 52.92 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.392 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_exo -75.01 -40.67 0.82 Allowed 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.922 1.748 . . . . 0.0 111.768 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.41 -0.56 3.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -56.19 -76.7 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.084 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -168.1 162.28 13.0 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.609 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -81.55 96.87 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 55' ' ' LEU . 66.1 t80 -62.2 -19.11 62.78 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.54 -22.49 34.94 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.624 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -81.46 -20.1 40.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.979 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 52' ' ' TYR . 72.5 mt -72.12 -171.25 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.477 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -159.32 164.47 20.63 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.233 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -74.95 -20.26 17.15 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.215 1.944 . . . . 0.0 110.246 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.16 -42.99 71.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.401 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.78 54.82 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.243 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 -69.84 -42.05 74.1 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.561 HH11 HG11 ' A' ' 87' ' ' VAL . 90.9 mtt-85 -50.26 -54.73 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.391 0.615 . . . . 0.0 110.409 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -62.56 -31.82 72.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.807 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.527 HD22 ' CB ' ' A' ' 39' ' ' CYS . 3.2 t-20 -61.94 -42.61 99.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 50.4 m-85 -67.98 -55.6 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.399 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.499 ' OG1' HG21 ' A' ' 83' ' ' VAL . 18.3 m -53.26 -42.79 66.86 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.44 ' O ' ' OG1' ' A' ' 70' ' ' THR . 55.8 tp -61.38 -46.95 88.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.013 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.07 87.08 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.034 -0.667 . . . . 0.0 110.086 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.98 -49.69 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.2 t -61.65 -28.84 69.67 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 32.4 m -77.84 -47.14 19.54 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.313 178.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.58 76.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 76' ' ' ASP . 13.0 tm-20 -72.04 -49.97 32.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.792 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -60.3 -40.3 90.01 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.859 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.6 mt -78.51 -45.17 22.62 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.484 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.93 8.69 7.45 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 72' ' ' GLU . 69.3 m-20 46.44 36.78 3.7 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.94 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 94.8 m -49.97 -163.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.547 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.73 168.59 14.21 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.384 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.86 41.32 3.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.928 0.394 . . . . 0.0 109.953 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.06 -20.97 63.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.548 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mt -116.26 138.71 51.08 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.166 0.507 . . . . 0.0 112.28 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 49.7 mp0 -108.32 144.2 36.17 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.273 178.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG21 ' OG1' ' A' ' 65' ' ' THR . 66.7 t -58.32 -51.65 68.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.441 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.2 p30 -55.33 -46.78 76.34 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.132 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 35.0 t0 -63.2 -43.92 96.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.054 0.455 . . . . 0.0 110.004 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.452 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.8 mtp -62.55 -44.52 96.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.347 0.594 . . . . 0.0 109.87 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.561 HG11 HH11 ' A' ' 61' ' ' ARG . 77.3 t -70.64 -41.28 77.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.883 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' NH2' ' OD1' ' A' ' 85' ' ' ASP . 65.3 ttp85 -70.72 -45.84 64.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.807 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.38 -51.68 62.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.081 0.467 . . . . 0.0 110.315 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 63.8 21.06 12.51 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.4 -1.334 . . . . 0.0 107.4 -177.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 90' ' ' ALA . 68.6 t -162.26 89.0 1.41 Allowed Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.462 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -72.46 -173.0 1.02 Allowed 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.983 1.789 . . . . 0.0 111.397 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.76 130.77 53.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.251 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.9 p -48.73 -31.62 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.092 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 99' ' ' THR . 20.6 ptmt -76.22 -34.07 59.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.486 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 59.4 m -69.12 -40.97 77.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.455 0.645 . . . . 0.0 110.581 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.18 -43.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.244 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.478 ' CE2' HD12 ' A' ' 9' ' ' LEU . 20.6 t80 -61.92 -53.05 61.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.845 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 100' ' ' TYR . 14.2 t -58.8 -42.5 89.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.331 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.506 ' N ' HG23 ' A' ' 99' ' ' THR . 47.9 t80 -61.4 -49.92 74.95 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.376 0.608 . . . . 0.0 110.053 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.13 -36.91 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.926 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -54.68 -56.75 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.701 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -60.12 -45.8 91.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.332 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.43 -43.94 96.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.707 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -54.01 -47.26 71.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.431 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.39 -40.47 90.99 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.871 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 t -61.01 -39.2 88.81 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.72 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 114' ' ' VAL . 90.1 mt -67.31 -37.61 83.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.828 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.43 -49.21 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -65.24 -49.16 70.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -51.99 -30.57 25.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.273 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.96 17.13 58.45 Favored Glycine 0 N--CA 1.463 0.487 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.36 -47.04 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.515 -0.843 . . . . 0.0 111.061 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' A' ' 108' ' ' LEU . 2.3 t -69.01 -40.06 80.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.475 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -84.74 70.41 10.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.069 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.8 t -115.31 -0.13 13.29 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -141.35 145.82 35.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -150.15 150.97 32.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.342 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.483 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.559 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 3.1 Cg_exo -71.89 114.36 3.94 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.304 2.002 . . . . 0.0 110.337 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.6 mt -83.18 2.42 35.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.367 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.44 61.31 0.45 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.458 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 51.7 p -82.39 -60.18 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.29 0.566 . . . . 0.0 110.545 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.458 ' N ' ' OG ' ' A' ' 5' ' ' SER . 68.6 mttm -48.41 -45.03 35.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.42 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -63.44 -41.75 98.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.963 0.411 . . . . 0.0 110.169 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.7 tpt -59.9 -46.67 88.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.311 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.473 HD12 ' CE2' ' A' ' 98' ' ' TYR . 87.4 mt -64.7 -44.34 90.58 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.536 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.45 -46.82 88.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.406 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.32 -53.26 60.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.626 1.203 . . . . 0.0 110.118 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -53.98 -60.13 3.73 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 112.489 -2.142 . . . . 0.0 111.551 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 13.6 p -53.89 -43.09 69.36 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.128 0.49 . . . . 0.0 111.084 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.598 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 33.9 ttm180 -58.48 -47.07 85.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.352 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.72 -26.28 3.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.232 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.467 ' N ' ' SD ' ' A' ' 16' ' ' MET . 3.5 mmt -97.63 -6.65 32.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.418 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.439 ' O ' HG22 ' A' ' 17' ' ' THR . 64.5 m -87.19 -14.42 41.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.366 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -65.18 -42.87 93.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.662 0.744 . . . . 0.0 109.617 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 29.6 t-20 -62.98 -35.61 80.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.911 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -91.53 151.17 20.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.125 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 23' ' ' VAL . 15.1 pt-20 -119.29 174.28 6.44 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.517 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.632 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 39.4 t-80 62.49 3.02 0.99 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 21' ' ' GLU . 89.8 t -123.94 127.16 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.308 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 29.5 p-10 -141.18 106.94 5.11 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.904 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.9 mt -85.34 89.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.492 0.663 . . . . 0.0 112.395 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -103.39 -2.63 26.68 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.946 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -167.03 178.38 5.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.264 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.421 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 42.6 m-85 -104.18 -12.11 16.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.929 0.395 . . . . 0.0 110.284 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 m -103.03 -72.99 0.68 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -60.04 -42.48 94.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.464 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.9 m -70.91 0.92 6.28 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.289 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.421 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 32.3 m95 -113.96 -6.38 13.17 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.647 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.6 m -54.89 -40.73 70.09 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.437 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.3 m -64.26 -22.99 67.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.51 -9.28 36.12 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.451 ' H ' ' C ' ' A' ' 34' ' ' SER . 53.9 mmm -62.19 -29.83 70.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.545 -0.828 . . . . 0.0 110.28 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.79 -51.34 56.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.839 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -45.95 86.28 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.366 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 3.6 m -68.87 -46.36 68.64 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.36 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.34 89.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.383 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.9 -43.92 91.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.927 0.394 . . . . 0.0 110.851 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.451 ' C ' ' H ' ' A' ' 44' ' ' LYS . 2.8 mm -66.98 -45.08 87.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.918 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 31.7 t-80 -57.28 -6.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 -178.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.98 -36.3 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.772 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -84.67 -40.72 17.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.855 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.553 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 34.4 m-85 -118.57 78.34 14.96 Favored Pre-proline 0 C--O 1.22 -0.448 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.212 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.1 Cg_endo -46.57 -34.05 14.28 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 121.819 1.679 . . . . 0.0 111.678 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -68.29 -1.1 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -54.75 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.618 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.2 p90 -167.22 160.74 13.95 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.619 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -78.51 90.31 4.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.17 -22.04 65.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.15 -12.79 59.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.512 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -94.05 -12.84 27.72 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.723 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.25 152.19 25.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.954 0.407 . . . . 0.0 110.897 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' C ' ' H ' ' A' ' 58' ' ' ALA . 22.3 m-20 -124.79 144.87 47.96 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.305 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.12 -12.17 1.32 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.043 1.828 . . . . 0.0 109.921 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.83 -45.75 63.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.649 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -85.96 60.08 6.02 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.316 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 19.4 ptp180 -73.74 -45.75 50.07 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 82.0 mtp180 -52.35 -48.6 65.42 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.409 0.623 . . . . 0.0 110.089 -178.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -66.94 -34.54 77.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.524 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.52 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 20.5 t-20 -61.7 -43.13 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.152 0.501 . . . . 0.0 110.539 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.52 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 52.5 m-85 -65.94 -57.7 7.24 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.569 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.455 ' OG1' HG21 ' A' ' 83' ' ' VAL . 12.6 m -51.58 -41.32 61.08 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.69 -50.06 75.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.218 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.87 80.49 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.895 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -78.16 -46.05 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.73 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.4 m -64.98 -27.51 68.88 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.665 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.6 m -77.43 -47.58 19.38 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.328 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.19 79.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' ASP . 83.2 tt0 -74.34 -49.54 22.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.091 0.472 . . . . 0.0 110.769 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -58.46 -43.23 88.77 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.459 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 46' ' ' PHE . 93.2 mt -78.76 -51.78 9.3 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.061 0.764 . . . . 0.0 113.061 -178.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 8.47 15.83 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 72' ' ' GLU . 74.9 m-20 45.21 43.59 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.927 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 76' ' ' ASP . 14.6 p -49.05 -166.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.487 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.76 172.89 9.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.255 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -127.52 68.6 1.3 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -101.58 -26.14 13.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.653 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.9 mt -116.26 142.71 46.48 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.383 0.611 . . . . 0.0 111.923 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -111.52 143.02 43.05 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.694 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.455 HG21 ' OG1' ' A' ' 65' ' ' THR . 61.5 t -58.05 -51.18 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.138 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -53.97 -44.95 71.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.008 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -59.53 -44.4 93.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 2.6 mtm -62.35 -47.16 85.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.439 0.637 . . . . 0.0 110.289 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.0 t -63.03 -43.78 99.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.645 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -72.46 -48.86 37.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.781 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.9 -47.99 67.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.371 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 57.05 29.0 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 90' ' ' ALA . 61.3 t -164.24 88.91 1.11 Allowed Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 113.789 -1.55 . . . . 0.0 109.63 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -71.22 -171.83 0.66 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 121.881 1.72 . . . . 0.0 111.42 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -124.13 131.5 53.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.289 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 76.4 p -49.24 -32.3 10.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.056 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -74.89 -35.53 62.26 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.537 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -66.58 -52.85 40.93 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.05 -43.33 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.021 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 16.4 t80 -59.81 -51.0 71.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.05 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.6 m -58.49 -44.67 89.5 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.77 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.85 -49.9 75.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.482 0.658 . . . . 0.0 110.19 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.5 mm -60.75 -40.3 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.088 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -50.59 -62.05 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -58.46 -45.44 88.6 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.755 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.6 -45.3 94.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.97 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -52.34 -47.57 65.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.49 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -60.65 -39.73 89.4 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.996 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 m -59.24 -39.38 82.59 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.952 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.8 mt -69.07 -37.15 78.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.2 -48.64 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -65.18 -44.07 89.61 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -58.88 -26.8 64.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.327 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.93 18.78 60.61 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.64 -50.62 17.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.486 -0.857 . . . . 0.0 110.856 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.5 t -71.33 -37.61 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.594 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -92.29 91.88 7.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.507 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 116' ' ' THR . 52.7 m -114.34 -11.81 12.49 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.343 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -85.75 120.59 27.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.442 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -41.98 150.02 0.13 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.983 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.597 -179.296 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.527 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 2.5 Cg_endo -70.17 -29.51 21.83 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.268 1.979 . . . . 0.0 110.284 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.87 -37.58 86.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.706 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.64 160.62 35.9 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -85.46 -67.04 0.83 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.142 0.496 . . . . 0.0 110.717 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -47.74 -35.77 10.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.704 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.9 -42.24 98.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.917 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 tpt -60.42 -48.45 81.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.332 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.498 HD22 ' CG2' ' A' ' 101' ' ' ILE . 89.9 mt -65.14 -43.34 92.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.46 -47.26 86.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.454 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.54 -49.41 76.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.629 1.204 . . . . 0.0 110.004 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -61.17 -62.48 1.81 Allowed 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 112.533 -2.121 . . . . 0.0 111.226 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 m -51.61 -48.93 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.016 0.436 . . . . 0.0 110.764 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -60.28 -47.04 87.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.311 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -54.66 -24.15 20.43 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.365 -178.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -106.75 -2.13 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.742 -179.46 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -10.13 34.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.343 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -67.35 -37.77 83.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.669 0.747 . . . . 0.0 109.283 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -56.79 -33.61 66.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.523 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 66.9 m-85 -106.98 102.11 11.49 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.855 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 23' ' ' VAL . 95.8 mt-10 -66.56 -172.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.626 0.25 . . . . 0.0 110.757 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.635 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 32.2 t-80 60.15 1.48 0.35 Allowed 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.911 0.862 . . . . 0.0 108.838 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 21' ' ' GLU . 77.9 t -124.01 128.45 74.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.878 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 41.9 p-10 -140.67 106.44 5.14 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.7 mt -86.27 83.74 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 121.392 0.615 . . . . 0.0 112.48 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -95.93 -20.69 18.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.958 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -147.67 179.0 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.179 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 72.5 m-85 -104.69 -9.88 17.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.983 0.42 . . . . 0.0 110.437 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -105.21 -72.74 0.7 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.8 t -60.74 -44.21 96.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.447 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m -69.47 0.05 5.79 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.073 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.47 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 28.2 m95 -112.16 -3.83 14.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.637 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -64.92 -0.5 1.56 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.438 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 36' ' ' MET . 3.1 m -95.33 -25.2 16.4 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.35 -14.89 14.05 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -178.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.602 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 33.6 mtt -64.23 -33.5 75.94 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.64 -0.78 . . . . 0.0 110.4 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -53.57 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.547 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -58.57 -46.6 86.58 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.136 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 1.6 m -67.4 -46.15 74.08 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.925 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.6 97.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.963 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.42 -43.66 96.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.862 0.363 . . . . 0.0 110.492 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 44' ' ' LYS . 3.0 mm -66.27 -44.31 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.534 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.655 ' CD2' ' H ' ' A' ' 52' ' ' TYR . 63.0 t-80 -52.81 -10.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.168 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 42' ' ' ILE . 16.6 tptp -84.09 -35.27 23.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.645 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.99 -31.49 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.022 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.469 ' CG ' HD13 ' A' ' 74' ' ' LEU . 43.6 m-85 -131.28 95.93 23.14 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.525 -177.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -76.32 -42.06 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.989 1.793 . . . . 0.0 111.6 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.48 -17.55 14.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.97 -60.1 3.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.928 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 30.4 p90 -172.6 165.61 5.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.481 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -94.13 109.46 21.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.655 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 67.7 t80 -63.04 -17.38 62.17 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.88 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.36 -24.3 37.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.715 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -75.6 -18.8 59.61 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.9 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -68.1 -179.9 1.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.021 0.439 . . . . 0.0 111.319 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 58' ' ' ALA . 12.6 t70 -159.16 137.0 7.32 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.321 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.492 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 1.8 Cg_endo -52.43 -11.17 1.06 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.909 1.739 . . . . 0.0 109.909 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -83.51 -10.11 58.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.132 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.44 57.08 0.77 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.939 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' A' ' 57' ' ' PRO . 88.4 mtm-85 -70.2 -51.01 34.26 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.419 ' HG2' HG21 ' A' ' 87' ' ' VAL . 82.1 mtp180 -51.9 -45.83 64.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.36 0.6 . . . . 0.0 110.484 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -67.01 -35.19 79.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.768 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.509 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 22.3 t-20 -62.36 -43.53 98.61 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.798 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.554 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 50.6 m-85 -67.91 -55.01 14.42 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.75 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.5 m -53.47 -43.57 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.122 0.487 . . . . 0.0 109.77 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.9 -46.48 90.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.087 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.86 88.18 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.259 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -79.52 -47.57 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.746 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.7 m -61.28 -27.41 68.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.771 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.0 m -80.38 -46.2 16.44 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.047 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.47 83.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 76' ' ' ASP . 49.0 mt-10 -76.8 -47.12 22.48 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.195 0.522 . . . . 0.0 111.02 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -57.06 -46.07 82.74 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.706 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 46' ' ' PHE . 98.6 mt -79.23 -45.78 19.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -178.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.29 7.99 10.8 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 72' ' ' GLU . 53.6 t0 48.35 34.43 4.65 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.627 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.481 ' O ' ' O ' ' A' ' 76' ' ' ASP . 64.3 m -47.51 -167.04 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.681 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.57 171.2 11.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.529 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -129.95 42.64 3.25 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.972 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.03 -26.32 67.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.734 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -114.85 141.3 48.1 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.209 0.528 . . . . 0.0 112.38 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -111.42 132.57 54.35 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.187 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.524 ' O ' HG23 ' A' ' 87' ' ' VAL . 78.0 t -47.49 -54.05 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.815 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 42.6 p-10 -54.18 -45.14 72.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.479 -178.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.586 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 98.8 m-20 -59.8 -44.22 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.55 0.691 . . . . 0.0 109.852 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.554 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 11.5 mtp -63.69 -44.79 92.63 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.554 0.692 . . . . 0.0 110.42 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 83' ' ' VAL . 74.1 t -62.1 -49.52 83.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.064 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.532 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 11.4 ptm180 -70.38 -45.34 66.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.908 0.385 . . . . 0.0 111.923 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.532 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 67.9 mt -62.2 -53.71 51.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.045 -178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 65.02 22.38 12.4 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 90' ' ' ALA . 56.3 t -161.47 91.78 1.46 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 113.79 -1.55 . . . . 0.0 109.43 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.58 -179.82 4.87 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.82 1.68 . . . . 0.0 111.264 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 95.8 m-20 -114.78 127.72 55.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.879 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 t -50.09 -33.27 18.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.461 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 95' ' ' LYS . 17.0 pttp -70.94 -40.82 71.82 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.791 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.635 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 2.5 p -65.28 -47.24 77.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.635 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 93.4 t -63.23 -44.79 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.1 t80 -60.27 -50.68 72.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.001 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 m -57.59 -45.16 85.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.006 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -61.25 -49.32 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.39 0.614 . . . . 0.0 110.119 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.498 ' CG2' HD22 ' A' ' 9' ' ' LEU . 7.2 mm -60.4 -40.94 85.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.899 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -51.75 -61.32 2.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.823 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -58.95 -46.65 87.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.685 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.5 tp -58.73 -47.24 85.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.678 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -52.35 -46.82 66.29 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.62 0.724 . . . . 0.0 109.63 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.65 -40.3 91.5 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.983 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.3 m -59.68 -40.39 87.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.041 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.0 mt -69.52 -35.44 75.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.39 -49.08 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -65.93 -43.39 88.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.615 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -58.11 -27.49 63.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.332 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.53 17.81 61.43 Favored Glycine 0 N--CA 1.463 0.49 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.8 mt -76.08 -40.48 53.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.452 -0.874 . . . . 0.0 110.904 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.84 -36.9 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.98 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -94.47 62.16 2.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.871 0.367 . . . . 0.0 110.238 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.8 m -74.07 -55.86 5.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.414 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -140.97 132.49 26.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.117 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -96.25 135.29 38.26 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.693 -179.265 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -71.96 98.17 0.88 Allowed 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.218 1.945 . . . . 0.0 110.366 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.2 mt -106.72 12.0 29.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.478 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.89 107.69 0.41 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.0 p -72.52 -68.06 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.95 0.405 . . . . 0.0 110.328 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -59.98 -15.9 26.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.634 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -61.97 -39.4 92.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.818 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ttt -60.14 -43.56 95.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.09 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD22 ' CG2' ' A' ' 101' ' ' ILE . 42.2 mt -61.85 -42.92 99.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.02 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.451 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 56.9 tp -60.55 -45.87 92.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.019 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -59.24 -55.14 38.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.493 1.14 . . . . 0.0 109.779 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -51.19 -61.03 2.49 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.523 -2.126 . . . . 0.0 111.329 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 13.9 p -52.88 -44.3 66.76 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.236 0.541 . . . . 0.0 111.019 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.614 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 73.8 mtp85 -62.98 -41.89 99.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.483 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.3 -24.1 67.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.496 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.437 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.8 mpp? -111.42 -1.94 15.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.712 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 17' ' ' THR . 96.3 m -106.55 -8.32 17.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.14 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -63.25 -55.05 28.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.557 0.694 . . . . 0.0 109.457 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -46.38 -25.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.548 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.487 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 26.0 m-85 -93.87 97.27 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.601 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.629 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.01 -179.71 1.59 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 -179.528 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.607 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 28.6 t-80 61.45 -2.46 0.24 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.807 0.813 . . . . 0.0 108.851 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.629 ' H ' ' C ' ' A' ' 21' ' ' GLU . 99.9 t -126.66 130.58 71.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.932 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -144.43 109.03 4.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.655 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.4 mt -85.4 91.26 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.555 0.693 . . . . 0.0 112.575 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -102.24 -0.24 33.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.85 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.85 ' ND2' ' H ' ' A' ' 30' ' ' SER . 25.4 p-10 -171.5 -178.43 2.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.45 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.437 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 79.9 m-85 -105.53 -10.78 16.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.16 0.505 . . . . 0.0 110.566 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.3 p -99.45 -76.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.85 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 22.0 m -58.73 -39.62 81.41 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.842 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 m -73.36 1.37 9.76 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.353 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.437 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 36.5 m95 -114.62 -8.01 12.73 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.786 -179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 t -54.71 -40.97 69.76 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.066 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.1 m -63.2 -23.54 67.48 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.496 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.12 -9.4 26.09 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 -178.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.523 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 64.3 mtp -64.62 -27.33 68.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.634 -0.783 . . . . 0.0 110.118 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.38 59.14 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.427 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -44.41 83.97 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.104 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' SG ' ' ND2' ' A' ' 63' ' ' ASN . 11.0 m -66.18 -46.3 77.85 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.078 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB1' ' CD2' ' A' ' 20' ' ' TYR . . . -62.91 -42.94 99.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.535 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.52 -43.06 95.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 0.0 111.005 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mm -65.68 -41.74 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.581 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 37.8 t-80 -54.24 -48.02 71.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.365 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -44.2 -33.33 1.51 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.185 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -95.69 -27.22 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.082 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -126.12 97.85 34.13 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.463 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.564 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.7 Cg_endo -75.68 -39.17 1.07 Allowed 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.926 1.751 . . . . 0.0 111.68 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.54 6.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.564 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -70.56 -73.08 0.18 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.847 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' CG ' HD21 ' A' ' 66' ' ' LEU . 15.1 p90 -166.63 160.31 14.92 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.67 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -83.26 97.94 9.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.15 -22.66 63.15 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.903 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.2 -16.87 51.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.44 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -86.14 -19.94 29.38 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.617 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.0 mt -83.1 153.75 24.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 0.0 111.136 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 58' ' ' ALA . 3.4 m-20 -127.03 145.03 52.5 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.16 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -52.21 -11.53 1.11 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.099 1.866 . . . . 0.0 109.829 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.23 -44.5 68.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.612 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -89.16 61.92 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.169 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' ARG . 32.5 ptt180 -73.56 -42.73 61.27 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 79.8 mtp180 -53.21 -47.5 68.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.387 0.613 . . . . 0.0 110.268 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -68.69 -33.11 73.4 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.716 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.463 ' ND2' ' SG ' ' A' ' 39' ' ' CYS . 3.4 t-20 -63.08 -41.59 99.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.513 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 36.6 m-85 -68.01 -54.76 16.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.419 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.438 ' OG1' HG21 ' A' ' 83' ' ' VAL . 12.0 m -55.92 -43.25 77.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.606 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 50' ' ' PHE . 45.8 tp -59.38 -48.95 79.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.173 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.2 76.83 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.007 -179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.438 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 46.4 m-85 -81.66 -52.73 6.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -60.02 -30.22 69.02 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.91 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.3 m -78.1 -46.86 19.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.285 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.41 73.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -72.22 -49.53 34.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.492 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -59.54 -40.18 86.39 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.408 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.3 mt -78.61 -46.04 20.21 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.28 7.49 7.8 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 72' ' ' GLU . 93.1 m-20 47.02 35.77 3.62 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.013 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 76' ' ' ASP . 95.6 m -48.66 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.577 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' A' ' 72' ' ' GLU . . . -84.54 170.27 13.61 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.411 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -129.8 42.82 3.23 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.83 -26.5 66.95 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.545 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.09 142.3 44.71 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 121.24 0.543 . . . . 0.0 112.143 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.496 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 96.8 mt-10 -114.34 128.89 56.57 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.352 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.438 HG21 ' OG1' ' A' ' 65' ' ' THR . 92.3 t -44.6 -53.01 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.431 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -53.71 -47.11 70.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.524 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -63.81 -42.68 97.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.016 0.436 . . . . 0.0 110.106 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.523 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 8.5 mtp -62.33 -46.02 90.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.571 0.701 . . . . 0.0 109.744 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.6 t -68.3 -42.08 84.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.043 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -71.34 -47.97 53.25 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.8 -50.53 64.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.29 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 63.07 24.84 14.68 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -177.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 90' ' ' ALA . 62.9 t -163.5 89.19 1.2 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 113.807 -1.542 . . . . 0.0 109.584 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.04 -174.45 1.56 Allowed 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.925 1.75 . . . . 0.0 111.372 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 46.1 t0 -122.21 129.38 52.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.31 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 t -49.45 -30.58 8.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.062 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -71.94 -40.51 68.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.559 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.653 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 6.1 p -66.1 -46.99 75.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.201 0.524 . . . . 0.0 110.602 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.653 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 71.3 t -65.92 -44.59 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 15.2 t80 -58.1 -51.03 71.38 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.6 m -58.07 -42.67 86.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.007 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -60.65 -50.71 72.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.39 0.614 . . . . 0.0 110.269 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.411 ' CG2' HD22 ' A' ' 9' ' ' LEU . 30.0 mm -61.86 -41.71 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.119 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -49.93 -63.81 1.0 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.941 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.44 -44.97 89.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.897 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.56 -46.85 87.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.694 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -51.77 -46.26 64.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.613 0.721 . . . . 0.0 109.53 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.141 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.5 p -59.94 -41.37 91.67 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.965 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.6 -40.53 95.14 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.687 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.416 HG13 ' NZ ' ' A' ' 115' ' ' LYS . 58.4 t -61.75 -45.56 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.577 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.01 -50.91 70.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -59.32 -25.04 63.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.309 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.06 20.4 57.58 Favored Glycine 0 N--CA 1.463 0.441 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 113' ' ' LEU . 18.0 mt -74.01 -42.3 60.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.303 -0.949 . . . . 0.0 111.108 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.7 -36.35 77.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.478 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.416 ' NZ ' HG13 ' A' ' 109' ' ' VAL . 22.8 mtmm -89.93 58.32 4.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.477 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -94.13 -37.38 11.62 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.246 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -145.86 138.56 25.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.144 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -143.1 147.93 35.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.298 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.258 -179.771 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -69.5 -26.7 28.52 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.217 1.944 . . . . 0.0 110.212 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.19 -25.93 67.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.616 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.66 61.71 0.64 Allowed Glycine 0 N--CA 1.467 0.756 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 53.6 p -65.69 -60.71 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.118 0.485 . . . . 0.0 110.567 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' N ' ' OG ' ' A' ' 5' ' ' SER . 23.2 ttmt -45.66 -37.35 5.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.668 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.64 -41.61 99.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.038 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -57.98 -46.53 85.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.45 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD12 ' CE2' ' A' ' 98' ' ' TYR . 95.5 mt -63.44 -44.27 95.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.389 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.17 -48.5 78.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.686 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -57.02 -51.9 67.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.544 1.164 . . . . 0.0 109.928 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -59.12 -60.39 3.95 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.446 -2.161 . . . . 0.0 111.307 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 8.2 p -52.58 -42.94 64.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.12 0.486 . . . . 0.0 111.0 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.616 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 70.6 ttp85 -59.94 -47.26 86.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.997 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.92 -39.73 55.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.407 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.444 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 18.1 mmt -78.77 -27.77 44.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.757 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.64 -16.31 59.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.619 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 20' ' ' TYR . 79.9 ttt180 -59.81 -62.98 1.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.708 0.766 . . . . 0.0 109.386 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.561 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 48.9 p-10 -39.11 -24.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.138 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.561 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 26.1 m-85 -98.12 158.93 15.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.611 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' A' ' 23' ' ' VAL . 80.5 mm-40 -121.18 176.99 5.33 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.791 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER 58.92 3.76 0.35 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.466 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.548 ' H ' ' C ' ' A' ' 21' ' ' GLU . 49.6 t -122.28 130.72 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.751 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -145.9 106.01 4.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.876 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.2 mt -82.05 94.86 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 112.321 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -105.99 -22.73 12.82 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.169 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' H ' ' A' ' 29' ' ' SER . 20.0 m120 -155.19 136.8 14.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.359 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.489 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 46.3 m-85 -62.06 -6.11 2.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.151 0.5 . . . . 0.0 110.532 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 27' ' ' ASN . 41.5 t -99.77 -76.29 0.55 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -58.04 -42.11 84.69 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.507 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.7 m -73.02 2.59 6.69 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.306 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.489 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.1 m95 -115.91 -9.72 11.76 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.801 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 p -58.34 -18.27 26.16 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.329 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.4 m -85.74 -23.66 27.23 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.727 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 78.41 -12.02 22.13 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 -178.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.473 ' H ' ' C ' ' A' ' 34' ' ' SER . 41.2 mmm -61.76 -28.33 69.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.492 -0.854 . . . . 0.0 110.073 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -49.31 47.33 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.732 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -29.55 64.58 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.923 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.552 ' SG ' ' ND2' ' A' ' 63' ' ' ASN . 91.3 m -83.36 -45.12 14.1 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.309 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 20' ' ' TYR . . . -62.85 -43.1 99.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.668 -178.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.71 -42.33 97.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.03 0.443 . . . . 0.0 110.928 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 42' ' ' ILE . 9.6 mm -66.72 -40.97 87.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.397 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.528 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 31.7 t-80 -54.21 -49.92 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.371 -177.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HG2' HD21 ' A' ' 19' ' ' ASN . 4.0 mmmt -43.92 -32.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.721 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.8 m-85 -95.07 -29.3 14.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.769 -178.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -123.99 99.63 37.69 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.457 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.9 Cg_endo -74.93 -38.68 1.52 Allowed 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 121.832 1.688 . . . . 0.0 111.811 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.2 2.75 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -62.08 -75.65 0.07 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.033 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 4.7 p90 -166.32 160.22 15.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.601 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -82.67 95.49 7.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 32.9 t80 -61.4 -19.82 62.36 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.938 0.399 . . . . 0.0 111.113 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.51 -14.77 57.97 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.804 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.47 -9.39 32.69 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.463 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 52' ' ' TYR . 85.3 mt -77.84 145.19 36.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.049 0.452 . . . . 0.0 111.004 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.41 169.2 7.43 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.212 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -74.04 -20.91 18.79 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.152 1.901 . . . . 0.0 110.32 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.78 74.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.231 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -77.6 44.5 0.45 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.238 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -65.83 -56.71 10.48 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 8.3 ptm180 -50.07 -46.35 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.193 0.521 . . . . 0.0 110.167 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.512 ' N ' ' CG ' ' A' ' 61' ' ' ARG . 86.6 m-70 -63.52 -31.75 73.0 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.605 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.552 ' ND2' ' SG ' ' A' ' 39' ' ' CYS . 5.7 t-20 -62.32 -40.78 97.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.338 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.522 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 37.9 m-85 -68.76 -53.83 19.54 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.522 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.458 ' OG1' HG21 ' A' ' 83' ' ' VAL . 13.2 m -54.53 -42.18 70.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.4 tp -59.81 -48.55 81.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.028 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.89 79.33 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.984 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.53 -52.23 7.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.148 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.8 t -61.64 -29.1 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -79.27 -45.56 19.51 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.011 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.8 81.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.092 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 76' ' ' ASP . 98.2 mt-10 -74.17 -47.39 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.28 0.562 . . . . 0.0 110.759 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -59.04 -44.23 91.75 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.978 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.1 mt -80.55 -40.0 26.71 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.3 5.38 7.74 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.0 t0 47.44 33.42 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.878 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 76' ' ' ASP . 29.4 p -50.47 -164.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.607 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.03 167.61 16.7 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.157 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -135.44 38.74 2.89 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 2.1 mt -69.98 -17.05 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.503 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.5 mt -110.06 144.78 38.15 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.263 0.554 . . . . 0.0 111.915 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.7 129.77 56.73 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.087 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.458 HG21 ' OG1' ' A' ' 65' ' ' THR . 79.4 t -48.81 -53.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.584 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -54.82 -45.33 74.42 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.237 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 94.1 m-20 -61.06 -44.93 96.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.098 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.522 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 10.2 mtp -62.85 -45.67 91.5 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.289 0.566 . . . . 0.0 110.263 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 83' ' ' VAL . 55.1 t -61.25 -52.45 61.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.845 -1.071 . . . . 0.0 111.944 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.537 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 7.2 ptm180 -67.28 -44.76 78.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.785 0.326 . . . . 0.0 111.722 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.537 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 65.9 mt -62.17 -54.2 44.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.058 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 62.56 22.26 13.18 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -177.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 90' ' ' ALA . 69.9 t -161.0 87.03 1.71 Allowed Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.506 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.52 -172.8 1.14 Allowed 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 121.847 1.698 . . . . 0.0 111.358 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -120.35 129.78 54.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.241 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.3 m -52.16 -31.63 32.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.966 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -71.2 -42.34 69.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.178 0.513 . . . . 0.0 110.058 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.4 m -63.49 -49.72 72.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.303 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 63.4 t -61.46 -43.9 97.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.486 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 14.3 t80 -57.7 -50.78 72.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.143 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.0 m -57.75 -43.69 85.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.903 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.52 -50.22 73.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.446 0.641 . . . . 0.0 110.231 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.97 -40.88 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.114 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -51.86 -60.49 3.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.863 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -59.56 -47.19 86.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.642 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.24 -46.04 89.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.906 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -51.42 -47.45 63.0 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.66 0.743 . . . . 0.0 109.711 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.1 mtp-105 -60.19 -38.74 84.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.134 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 t -61.15 -41.39 96.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.979 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.84 -36.37 82.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.39 -48.49 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.899 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -66.61 -47.7 71.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -55.81 -28.8 58.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.192 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.3 18.87 56.59 Favored Glycine 0 N--CA 1.465 0.57 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.6 mt -74.37 -42.38 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.464 -0.868 . . . . 0.0 110.866 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.01 -35.67 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.102 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -98.51 72.73 2.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.074 0.464 . . . . 0.0 110.204 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -111.77 -35.85 5.62 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.479 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.409 ' H ' ' HG2' ' A' ' 117' ' ' LYS . 69.4 mmtt -49.19 -62.88 1.3 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.425 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -53.07 155.73 2.41 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.26 -179.73 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -70.13 -30.83 19.97 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.212 1.941 . . . . 0.0 110.376 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.49 -39.46 93.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.648 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 6' ' ' LYS . . . -76.38 142.12 27.72 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 7' ' ' ASN . 70.9 p -47.54 -15.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 0.0 110.414 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' N ' ' C ' ' A' ' 4' ' ' GLY . 46.5 mtmt -66.63 6.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.636 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 5' ' ' SER . 41.1 t30 -71.42 -41.01 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.415 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.4 tpt -52.72 -56.33 16.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.568 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.408 HD22 ' CG2' ' A' ' 101' ' ' ILE . 86.0 mt -64.69 -44.32 90.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.23 -47.28 86.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.44 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.5 -50.3 73.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.594 1.188 . . . . 0.0 110.021 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -59.69 -61.85 2.31 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 112.574 -2.103 . . . . 0.0 111.588 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.6 m -52.27 -44.13 64.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.934 0.397 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -57.59 -45.51 85.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.352 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.7 -41.56 61.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.203 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.8 mmt -84.21 -10.32 57.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.775 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.545 ' OG1' HD12 ' A' ' 25' ' ' ILE . 4.0 m -89.42 -17.41 28.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.027 0.442 . . . . 0.0 111.286 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -62.58 -55.16 29.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.574 0.702 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.43 HD22 ' HE2' ' A' ' 44' ' ' LYS . 90.1 m-20 -51.28 -30.0 16.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.701 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.49 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 25.8 m-85 -89.15 149.85 22.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.717 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 23' ' ' VAL . 98.9 mt-10 -119.7 173.65 6.89 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.669 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.616 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 43.4 t-80 63.06 0.81 0.77 Allowed 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.533 ' H ' ' C ' ' A' ' 21' ' ' GLU . 96.0 t -125.76 128.67 72.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.746 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 99.6 m-20 -140.71 108.56 5.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.6 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.545 HD12 ' OG1' ' A' ' 17' ' ' THR . 97.0 mt -84.71 88.87 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.561 0.696 . . . . 0.0 112.632 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -92.93 -24.87 18.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.121 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -147.84 -173.96 4.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.221 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.448 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 55.5 m-85 -105.59 -12.02 16.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.987 0.422 . . . . 0.0 110.469 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.2 m -104.04 -71.84 0.72 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 t -60.41 -42.88 96.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.517 -178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 m -71.32 1.94 5.5 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.216 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.448 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 33.5 m95 -113.85 -6.1 13.23 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.538 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.1 p -62.52 -3.8 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.567 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.467 ' C ' ' H ' ' A' ' 36' ' ' MET . 9.0 t -90.94 -25.78 19.6 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.598 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.8 -15.08 16.08 Favored Glycine 0 CA--C 1.517 0.177 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 58.0 mtp -65.85 -32.25 73.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.64 -0.78 . . . . 0.0 110.091 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.34 -53.43 57.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.431 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -57.45 -44.95 85.16 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.041 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 3.6 m -66.9 -45.59 77.49 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.4 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.33 98.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.372 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.3 tp -65.5 -42.51 92.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.933 0.397 . . . . 0.0 111.157 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.53 -43.07 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.569 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.49 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 48.7 t-80 -54.36 -47.28 72.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.069 0.461 . . . . 0.0 111.499 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HE2' HD22 ' A' ' 19' ' ' ASN . 22.9 tptp -42.62 -34.96 0.97 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.337 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -99.25 -21.89 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 85.6 m-85 -127.64 64.42 63.61 Favored Pre-proline 0 C--O 1.215 -0.736 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.54 -38.54 16.46 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.844 1.696 . . . . 0.0 111.74 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.29 -28.49 66.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' PHE . . . -34.37 -72.63 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.709 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CD2' HD21 ' A' ' 66' ' ' LEU . 5.5 p90 -167.69 162.33 13.94 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.53 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -80.82 89.62 5.83 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -52.68 -23.39 6.55 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.038 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.94 -17.4 50.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -88.54 -17.98 29.1 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -80.63 151.86 28.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.056 0.455 . . . . 0.0 111.533 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -119.46 162.86 30.19 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.194 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -73.94 -18.34 21.66 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.097 1.865 . . . . 0.0 110.585 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.03 92.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.385 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -91.38 51.3 1.88 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.092 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -65.06 -42.23 94.4 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -52.83 -52.87 55.44 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.55 0.69 . . . . 0.0 110.618 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -60.61 -32.49 71.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.229 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.464 ' CG ' ' SG ' ' A' ' 39' ' ' CYS . 4.0 t-20 -63.62 -40.54 97.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.034 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.3 m-85 -65.28 -57.87 7.37 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.033 -0.667 . . . . 0.0 109.358 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.499 ' OG1' HG21 ' A' ' 83' ' ' VAL . 13.6 m -53.49 -43.49 68.26 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.748 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 50' ' ' PHE . 61.3 tp -59.86 -48.16 82.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.078 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -61.65 -39.12 90.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.047 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.55 -46.72 21.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.945 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.7 p -66.36 -26.32 67.22 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.803 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -76.61 -48.95 17.5 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.443 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.8 76.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.955 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ASP . 81.0 tt0 -71.6 -50.8 27.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.962 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -61.97 -40.84 96.96 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.915 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.5 mt -85.28 -40.15 16.91 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.91 -0.87 10.55 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 77' ' ' CYS . 58.2 t0 49.96 28.99 3.14 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 119.571 -0.852 . . . . 0.0 109.784 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.451 ' O ' ' O ' ' A' ' 76' ' ' ASP . 14.3 p -49.72 -165.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.743 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.88 169.93 12.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -133.92 38.2 3.2 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.002 0.429 . . . . 0.0 109.866 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 8.5 mt -65.24 -19.89 66.17 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.359 -178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.16 143.59 42.95 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.348 0.594 . . . . 0.0 112.039 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 95.8 mt-10 -114.29 134.09 55.2 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.466 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG21 ' OG1' ' A' ' 65' ' ' THR . 84.0 t -51.59 -53.25 17.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.563 -178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -52.25 -45.02 65.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.443 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.6 OUTLIER -64.94 -41.47 95.48 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.19 0.519 . . . . 0.0 110.554 -179.646 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.509 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.0 mtp -61.94 -45.45 93.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.69 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.57 -44.33 93.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.024 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -71.46 -48.8 47.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.8 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.58 -52.47 60.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.138 0.494 . . . . 0.0 110.541 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.11 26.58 15.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -177.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 90' ' ' ALA . 73.5 t -163.34 87.52 1.27 Allowed Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.833 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -72.41 -170.91 0.63 Allowed 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 121.908 1.738 . . . . 0.0 111.348 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.479 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 57.5 t0 -126.23 130.16 50.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.946 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.8 p -47.02 -30.24 2.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.532 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -34.77 60.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.618 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 4.9 p -68.16 -47.86 66.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.905 0.383 . . . . 0.0 110.597 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.618 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 97.2 t -67.13 -43.86 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.228 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.5 t80 -59.95 -51.09 71.17 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.088 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 m -58.69 -43.06 89.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.165 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -62.01 -50.63 71.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.264 0.554 . . . . 0.0 110.204 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.408 ' CG2' HD22 ' A' ' 9' ' ' LEU . 10.5 mm -61.59 -40.82 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.143 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -50.17 -62.26 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.81 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -57.55 -43.83 84.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.693 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.08 -45.38 94.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -53.97 -47.78 71.02 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.482 0.658 . . . . 0.0 109.696 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -60.4 -43.51 96.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.867 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -58.48 -40.94 84.13 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.772 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.42 ' CB ' HG23 ' A' ' 114' ' ' VAL . 95.1 mt -63.64 -39.11 93.52 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.577 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.87 -46.46 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.416 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.67 -47.93 79.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -60.73 -22.57 64.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.85 19.86 72.02 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.03 -43.27 54.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.431 -0.885 . . . . 0.0 111.233 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.42 HG23 ' CB ' ' A' ' 108' ' ' LEU . 67.5 t -42.86 -65.49 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -177.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -74.4 67.19 1.42 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.911 0.386 . . . . 0.0 110.482 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.0 m -64.73 -61.42 2.2 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.049 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -52.84 143.79 15.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.261 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.19 120.51 24.64 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.211 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 64.3 pttt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.634 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.574 ' C ' ' H ' ' A' ' 4' ' ' GLY . 2.8 Cg_endo -71.78 58.79 2.69 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.417 2.078 . . . . 0.0 109.986 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.8 25.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.682 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.574 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . 130.21 85.8 0.4 Allowed Glycine 0 N--CA 1.464 0.524 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -53.84 -33.39 56.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.947 0.403 . . . . 0.0 110.23 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -76.9 1.21 18.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.632 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 9.3 t30 -65.34 -39.39 92.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.7 ttt -58.76 -45.88 88.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.197 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.77 -47.64 85.38 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.136 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.85 -44.54 94.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -59.99 -55.47 33.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.713 1.244 . . . . 0.0 109.954 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 75.2 t90 -51.52 -61.98 1.91 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 112.501 -2.136 . . . . 0.0 111.354 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' SG ' HD13 ' A' ' 41' ' ' LEU . 1.4 t -53.28 -44.66 68.43 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.306 0.574 . . . . 0.0 111.22 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -60.62 -35.75 76.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.529 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 12' ' ' TRP . . . -62.36 -17.52 59.17 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.415 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 ptp -120.87 -3.28 9.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.643 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 m -88.54 -13.36 40.34 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.252 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -65.53 -40.72 93.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.677 0.751 . . . . 0.0 109.624 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -57.99 -34.45 70.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.037 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.485 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 69.8 m-85 -93.46 152.39 19.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.796 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 23' ' ' VAL . 94.7 mt-10 -117.82 173.41 6.77 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.666 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.628 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 47.0 t-80 64.31 6.67 3.13 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 122.062 0.935 . . . . 0.0 108.805 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 21' ' ' GLU . 63.9 t -126.14 127.96 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.186 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -140.67 108.56 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.778 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.02 89.0 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.475 0.655 . . . . 0.0 112.483 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -99.1 -26.03 14.35 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.102 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -149.64 -174.91 4.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.354 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.429 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 89.1 m-85 -104.99 -11.51 16.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.218 0.533 . . . . 0.0 110.422 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.9 p -105.41 -72.64 0.7 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.979 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -60.65 -44.04 96.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.333 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -70.17 -0.72 8.35 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.918 -178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.432 ' C ' ' H ' ' A' ' 34' ' ' SER . 29.7 m95 -112.47 -4.16 14.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.016 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -62.24 0.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.214 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 36' ' ' MET . 59.8 p -96.52 -25.04 15.78 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.701 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.69 -13.95 11.18 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 -178.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.502 ' H ' ' C ' ' A' ' 34' ' ' SER . 3.0 mmt -64.7 -27.47 68.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.553 -0.823 . . . . 0.0 110.305 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 -51.93 62.05 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.766 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -58.27 -45.68 87.42 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.099 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.493 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 4.5 m -66.53 -47.06 74.11 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.264 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.485 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -61.64 -41.92 98.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.323 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.502 HD13 ' SG ' ' A' ' 13' ' ' CYS . 55.9 tp -64.31 -43.4 94.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 110.886 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mm -67.21 -43.92 88.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.718 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 46.1 t-80 -57.95 -10.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.547 -178.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -71.65 -39.22 70.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.802 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -104.97 -9.64 17.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.83 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' A' ' 74' ' ' LEU . 88.3 m-85 -129.3 94.59 32.81 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.557 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -75.71 -36.11 2.32 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.924 1.749 . . . . 0.0 111.518 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -69.37 -1.49 8.44 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -61.32 -75.85 0.06 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.894 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.1 p90 -167.19 160.97 14.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.668 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -83.62 93.34 7.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' HA ' HD12 ' A' ' 55' ' ' LEU . 64.9 t80 -59.84 -21.66 61.23 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.928 -179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.77 -8.62 59.73 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -101.67 -14.99 17.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.435 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 52' ' ' TYR . 85.5 mt -74.26 150.4 40.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 110.98 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.02 164.63 16.17 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.06 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.24 -24.35 14.62 Favored 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 122.161 1.907 . . . . 0.0 110.068 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.5 85.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.366 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -80.67 51.47 1.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.579 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 61' ' ' ARG . 25.2 ptt-85 -72.12 -44.93 62.41 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 94.6 mtm-85 -53.26 -46.39 69.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.304 0.573 . . . . 0.0 109.984 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -66.79 -33.25 75.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.493 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 17.1 t-20 -62.49 -41.34 98.74 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.052 0.453 . . . . 0.0 110.475 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.447 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 48.2 m-85 -69.05 -53.4 20.59 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.736 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.483 ' OG1' HG21 ' A' ' 83' ' ' VAL . 15.5 m -56.6 -43.14 79.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.403 HD21 ' CG ' ' A' ' 50' ' ' PHE . 48.7 tp -61.01 -47.77 84.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.096 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.34 78.93 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.94 -0.704 . . . . 0.0 109.969 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 42.2 m-85 -82.38 -51.4 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.975 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.4 p -60.64 -29.86 69.51 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.79 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.416 HG22 HD12 ' A' ' 74' ' ' LEU . 97.7 m -76.64 -49.34 16.44 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.366 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.7 -29.67 70.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 76' ' ' ASP . 44.2 tt0 -70.28 -52.47 22.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.081 0.467 . . . . 0.0 110.53 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -61.69 -37.03 82.64 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.866 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 46' ' ' PHE . 97.7 mt -80.35 -44.81 18.82 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.2 5.54 7.1 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.6 t0 47.1 33.9 2.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.898 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.1 t -48.83 -165.74 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.599 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.02 169.95 13.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.362 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -131.86 42.18 3.19 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.11 -23.53 64.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.399 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -110.46 141.98 42.83 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 121.181 0.515 . . . . 0.0 112.09 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 68.4 mm-40 -115.07 128.84 56.49 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.547 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG21 ' OG1' ' A' ' 65' ' ' THR . 78.2 t -44.21 -53.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.444 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -53.88 -47.67 70.84 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.331 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -62.68 -43.43 98.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 110.315 -179.529 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.522 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 6.9 mtp -61.96 -45.58 93.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.6 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 83' ' ' VAL . 79.9 t -68.24 -41.64 84.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.9 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -71.96 -48.76 42.87 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.729 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.52 -49.61 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.263 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 56.48 29.22 14.99 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.723 HG12 ' O ' ' A' ' 91' ' ' VAL . 73.4 t -161.01 60.91 1.34 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 113.785 -1.552 . . . . 0.0 109.893 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.502 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.4 Cg_endo -44.99 -179.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 121.965 1.777 . . . . 0.0 111.41 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -118.51 130.61 56.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.317 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 m -49.44 -33.4 14.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.038 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' O ' ' OG1' ' A' ' 99' ' ' THR . 25.8 ttpp -73.44 -36.69 65.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.55 179.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.4 m -66.43 -51.88 52.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.64 -43.47 94.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 28.6 t80 -60.09 -50.83 72.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.966 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 18.7 m -58.07 -43.27 86.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.029 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -63.0 -51.07 68.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.492 0.663 . . . . 0.0 110.171 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.0 mm -60.26 -40.2 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.961 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -52.68 -59.43 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.653 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.31 -45.6 90.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.551 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.01 -46.35 88.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.621 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -53.26 -47.66 68.9 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.76 0.791 . . . . 0.0 109.687 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -61.24 -43.02 99.55 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.235 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.5 m -58.63 -40.97 84.88 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.089 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.14 -40.11 94.84 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.973 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.95 -45.5 98.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -62.23 -50.4 71.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.3 -17.05 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.235 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.9 20.79 77.51 Favored Glycine 0 N--CA 1.464 0.537 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.8 mt -72.88 -43.4 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.381 -0.91 . . . . 0.0 111.024 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -36.44 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.402 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -82.16 58.66 4.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.137 0.494 . . . . 0.0 110.299 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 116' ' ' THR . 97.7 m -100.07 -7.26 25.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.335 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' LYS . 14.2 mptt -54.98 -73.4 0.05 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.333 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' LYS . 63.0 tttm -40.79 131.59 2.38 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.338 -179.108 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -71.2 114.69 3.99 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.365 2.043 . . . . 0.0 110.675 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.2 mt -70.05 -32.7 70.95 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.507 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.66 38.61 9.45 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -68.89 -61.22 1.89 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 110.982 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -97.87 1.73 48.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.615 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -69.94 -38.61 76.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.951 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 tpt -56.42 -48.78 76.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.198 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 98' ' ' TYR . 91.2 mt -64.76 -43.38 93.49 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.482 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.8 -46.81 87.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.454 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -59.31 -51.14 71.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.525 1.155 . . . . 0.0 109.989 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.404 ' CD1' ' HE1' ' A' ' 16' ' ' MET . 75.5 t90 -57.62 -60.9 2.98 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.382 -2.19 . . . . 0.0 111.241 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' THR . 6.9 m -54.25 -45.24 72.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.123 0.487 . . . . 0.0 110.798 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.599 HH12 ' CZ ' ' A' ' 18' ' ' ARG . 69.3 ttp85 -61.92 -51.07 69.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.694 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.27 26.91 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.289 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.404 ' HE1' ' CD1' ' A' ' 12' ' ' TRP . 13.9 mtm -112.69 -3.6 14.23 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.652 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.525 ' O ' HG22 ' A' ' 17' ' ' THR . 95.3 m -113.98 -6.7 13.15 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.599 ' CZ ' HH12 ' A' ' 14' ' ' ARG . 38.5 ttm180 -63.69 -59.9 3.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -45.05 -20.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.644 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.469 ' N ' ' C ' ' A' ' 18' ' ' ARG . 12.2 m-85 -90.27 104.24 16.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.816 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.617 ' C ' ' H ' ' A' ' 23' ' ' VAL . 80.3 mm-40 -72.17 178.7 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.769 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.552 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 26.2 t-80 63.59 -4.43 0.33 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.617 ' H ' ' C ' ' A' ' 21' ' ' GLU . 58.4 t -128.6 129.86 68.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.939 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -143.44 108.89 5.06 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.642 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 mt -76.52 97.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -109.59 -12.05 14.71 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.754 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 22.2 t-20 -170.17 -178.13 2.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.348 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 64.0 m-85 -99.74 -9.76 22.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.136 0.493 . . . . 0.0 110.344 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 t -107.77 -69.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -58.39 -45.57 88.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.069 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -72.31 1.26 8.09 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.973 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.418 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 32.8 m95 -113.54 -8.58 13.33 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.699 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -54.84 -23.3 17.77 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.666 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 36' ' ' MET . 79.5 p -77.89 -21.08 51.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 75.87 -8.92 19.53 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 -178.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.476 ' H ' ' C ' ' A' ' 34' ' ' SER . 4.8 mmt -65.28 -29.19 69.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.517 -0.842 . . . . 0.0 110.458 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -52.32 65.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.409 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CZ ' ' CD1' ' A' ' 81' ' ' LEU . 27.4 m-85 -57.06 -44.09 82.69 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.972 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.47 ' SG ' ' CG ' ' A' ' 63' ' ' ASN . 3.5 m -71.03 -44.63 65.44 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.46 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.75 95.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.484 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.32 -42.75 99.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.594 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.0 mm -67.76 -42.78 86.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.355 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 29.9 t-80 -57.41 -13.7 3.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.28 -178.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -74.58 -39.27 62.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.802 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.84 -19.35 18.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.71 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CD1' HD13 ' A' ' 74' ' ' LEU . 98.1 m-85 -126.24 99.07 31.55 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.476 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.06 -37.84 1.82 Allowed 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.929 1.753 . . . . 0.0 111.763 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.65 -7.26 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.5 -76.36 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.955 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.509 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 7.3 p90 -168.26 162.11 12.54 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.663 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.87 90.15 6.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.451 ' HA ' HD12 ' A' ' 55' ' ' LEU . 44.6 t80 -58.61 -21.03 52.33 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.06 -13.48 59.27 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.452 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -93.4 -15.39 25.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 52' ' ' TYR . 85.2 mt -76.38 150.78 36.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.61 170.05 8.68 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.165 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -75.05 -11.79 21.4 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.275 1.983 . . . . 0.0 110.171 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.82 -8.38 58.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.931 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -112.15 49.77 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.264 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.4 mtm-85 -69.99 -51.42 32.63 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' HG21 ' A' ' 87' ' ' VAL . 79.1 mtp85 -52.42 -45.04 65.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.335 0.588 . . . . 0.0 110.25 -178.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -66.69 -36.17 81.89 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.47 ' CG ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 t-20 -62.45 -42.75 99.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.455 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.1 m-85 -67.43 -54.26 21.87 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.81 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.0 m -56.37 -44.41 80.14 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.371 -0.532 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.442 HD21 ' CG ' ' A' ' 50' ' ' PHE . 58.2 tp -61.34 -46.01 92.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.236 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.74 89.31 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.138 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 40.2 m-85 -80.39 -48.08 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.985 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -61.93 -29.09 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.009 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 28.8 m -79.03 -45.93 19.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.254 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.77 81.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.006 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 76' ' ' ASP . 95.7 mt-10 -72.18 -47.36 51.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.245 0.545 . . . . 0.0 110.841 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.76 -41.98 98.38 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.838 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.509 HD13 ' CD1' ' A' ' 46' ' ' PHE . 94.1 mt -78.37 -40.21 36.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.19 7.73 5.05 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 72' ' ' GLU . 89.0 m-20 45.6 38.96 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.015 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.476 ' O ' ' O ' ' A' ' 76' ' ' ASP . 15.1 p -47.72 -166.39 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.648 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.15 169.8 13.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.443 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -126.15 68.98 1.2 Allowed 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mt -101.94 -22.6 14.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.399 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' CD1' ' CZ ' ' A' ' 38' ' ' PHE . 22.2 mt -113.49 137.05 52.1 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.181 0.515 . . . . 0.0 112.024 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.65 128.54 56.42 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.064 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 87' ' ' VAL . 94.0 t -47.76 -52.43 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.865 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -54.61 -45.92 73.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.399 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.22 -42.94 99.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.996 0.427 . . . . 0.0 110.391 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.455 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.6 mtp -61.47 -42.53 98.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.501 0.667 . . . . 0.0 110.082 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 83' ' ' VAL . 68.9 t -63.22 -43.81 98.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.213 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -73.28 -47.82 39.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.793 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 54.6 mt -53.02 -62.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 71.63 17.8 5.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 -177.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 90' ' ' ALA . 55.1 t -163.77 91.98 1.1 Allowed Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.31 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -70.73 176.37 7.59 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.88 1.72 . . . . 0.0 111.747 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 97.1 m-20 -113.68 128.5 56.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.192 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.3 m -50.35 -33.9 22.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.221 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -68.29 -42.39 79.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.827 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 1.7 p -65.41 -46.92 78.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.604 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.642 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 94.5 t -62.86 -45.14 99.6 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CE2' HD12 ' A' ' 9' ' ' LEU . 19.1 t80 -61.1 -51.21 70.08 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.165 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 18.8 m -57.86 -42.66 84.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.854 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.09 -50.22 74.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.448 0.642 . . . . 0.0 110.159 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.9 mm -61.02 -41.04 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -51.96 -60.86 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.752 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 99' ' ' THR . 4.7 mp0 -58.67 -45.42 89.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.753 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.74 -45.35 92.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.772 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -53.02 -46.88 68.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.784 0.802 . . . . 0.0 109.412 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.13 -42.48 98.62 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.866 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.3 p -60.2 -36.92 78.74 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.938 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HB3' HG23 ' A' ' 114' ' ' VAL . 95.7 mt -64.22 -41.37 97.06 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.118 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.75 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -53.53 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -55.3 -19.22 7.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.241 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.23 20.69 71.96 Favored Glycine 0 N--CA 1.462 0.375 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.77 -46.79 28.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.375 -0.912 . . . . 0.0 111.143 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 108' ' ' LEU . 2.3 t -68.85 -42.2 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.819 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -83.08 68.26 9.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.51 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.9 m -71.62 -53.67 12.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.401 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -145.87 148.02 32.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -120.73 148.46 43.93 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 59.1 pttt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.591 -179.783 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.112 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -70.17 -20.18 33.21 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.282 1.988 . . . . 0.0 110.07 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.8 mt -62.06 -32.05 72.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.513 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.13 78.13 0.32 Allowed Glycine 0 N--CA 1.466 0.677 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 53.4 p -67.14 -61.49 1.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.088 0.471 . . . . 0.0 110.584 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' N ' ' OG ' ' A' ' 5' ' ' SER . 24.1 pttm -50.47 -34.2 24.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.644 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -60.84 -41.54 96.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.857 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.4 tpt -60.71 -48.41 81.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.397 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 98' ' ' TYR . 94.8 mt -65.7 -40.57 92.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.283 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 10' ' ' LEU . 39.8 tp -62.47 -49.36 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.808 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.0 -54.28 48.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.637 1.208 . . . . 0.0 110.245 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -53.73 -60.98 2.61 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.323 -2.217 . . . . 0.0 111.566 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.599 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 15.6 p -53.97 -44.49 70.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.028 0.442 . . . . 0.0 111.14 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.599 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 58.8 ttt85 -60.38 -52.01 67.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.633 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.27 -18.6 0.99 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.508 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.4 mtm -113.9 -0.78 14.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.911 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -103.66 -10.03 18.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.083 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -65.86 -50.58 64.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.514 0.673 . . . . 0.0 109.754 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -48.03 -27.53 2.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.696 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CD2' ' HB1' ' A' ' 40' ' ' ALA . 43.9 m-85 -87.96 150.66 23.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.659 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 22' ' ' HIS . 28.1 tt0 -114.77 167.92 10.35 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.73 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.608 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 50.1 t-80 66.17 4.06 2.96 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.436 ' H ' ' C ' ' A' ' 21' ' ' GLU . 99.0 t -126.09 128.39 71.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.18 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OG ' ' A' ' 31' ' ' SER . 66.6 t0 -143.19 108.19 4.94 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.6 mt -79.98 98.04 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -112.34 -6.48 14.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.002 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.512 HD22 ' HB3' ' A' ' 30' ' ' SER . 2.0 p30 -177.4 137.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.455 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 62.7 m-85 -60.5 -7.71 2.3 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.286 0.565 . . . . 0.0 110.672 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 27' ' ' ASN . 60.5 p -97.39 -77.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.512 ' HB3' HD22 ' A' ' 27' ' ' ASN . 6.0 t -58.27 -41.73 84.95 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 43.0 t -73.57 3.78 5.78 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.697 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.511 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 37.4 m95 -115.25 -9.53 12.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.681 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.0 m -54.28 -38.8 66.28 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.264 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -65.67 -23.81 66.87 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 81.36 -7.42 61.01 Favored Glycine 0 N--CA 1.458 0.143 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.3 mmm -61.57 -29.1 69.8 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.609 -0.795 . . . . 0.0 110.537 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.81 -50.98 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.751 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -57.87 -43.34 85.93 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.134 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 16.1 p -70.98 -45.9 63.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.031 0.443 . . . . 0.0 111.333 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.609 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -61.95 -43.6 98.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.755 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.78 -41.89 95.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.016 0.436 . . . . 0.0 111.029 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 42' ' ' ILE . 9.4 mm -64.94 -40.06 87.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.487 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -54.87 -48.44 72.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.554 -177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -33.31 1.54 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.702 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -95.38 -27.03 15.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.791 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.4 m-85 -126.93 99.87 28.38 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.485 -178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.41 -35.33 3.86 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.798 1.665 . . . . 0.0 111.757 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.96 -16.41 63.85 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.29 -73.68 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.264 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -169.93 164.52 9.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.667 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -86.47 105.44 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -63.64 -19.08 64.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.61 -22.6 34.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.671 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -85.11 -16.53 40.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.1 mt -82.96 149.26 27.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.037 0.446 . . . . 0.0 111.128 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.75 165.72 19.08 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.238 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.15 -12.88 21.22 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.189 1.926 . . . . 0.0 110.181 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.15 -9.01 59.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.17 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -113.23 55.16 0.71 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.088 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 60' ' ' ARG . 85.1 mtm-85 -70.5 -47.86 58.45 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -54.62 -47.81 72.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.294 0.568 . . . . 0.0 110.473 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -65.08 -35.01 79.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.495 HD21 ' CB ' ' A' ' 39' ' ' CYS . 9.9 t-20 -63.55 -43.55 96.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 47.9 m-85 -65.07 -54.56 28.15 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.67 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -56.32 -43.45 79.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.7 tp -62.24 -45.94 91.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.131 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.17 96.28 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.043 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -78.63 -52.08 8.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.944 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.5 p -59.75 -27.18 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.7 m -78.8 -45.03 21.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.28 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.68 78.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.004 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' A' ' 76' ' ' ASP . 96.8 mt-10 -71.34 -52.01 21.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.088 0.471 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -60.04 -40.05 88.05 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.005 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.408 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.9 mt -83.95 -36.35 23.33 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.23 2.29 5.77 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 72' ' ' GLU . 91.4 m-20 47.86 37.81 7.94 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.0 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 76' ' ' ASP . 20.1 p -47.36 -168.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.652 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.9 171.29 12.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.342 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -123.99 56.58 1.24 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.89 -25.28 19.91 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.641 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -118.36 137.5 53.06 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.142 0.496 . . . . 0.0 112.005 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -109.58 143.91 38.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.192 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 87' ' ' VAL . 76.8 t -57.59 -52.7 54.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.677 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -55.88 -45.98 78.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.178 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -62.29 -45.04 95.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.016 0.436 . . . . 0.0 110.303 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.444 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.7 mtp -60.98 -42.27 98.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.708 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 83' ' ' VAL . 62.3 t -66.75 -45.37 88.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.206 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.85 -48.07 64.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.904 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.9 mt -62.5 -53.85 48.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.085 0.469 . . . . 0.0 110.461 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 61.27 24.77 14.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 90' ' ' ALA . 52.9 t -162.51 90.12 1.33 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 113.791 -1.55 . . . . 0.0 109.535 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -73.09 -175.16 1.82 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.956 1.771 . . . . 0.0 111.353 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -119.21 131.29 55.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.319 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.5 p -48.37 -32.42 7.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.883 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -76.76 -32.65 57.87 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.381 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -67.61 -52.28 40.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.481 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.35 -43.85 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.9 t80 -59.41 -51.48 69.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.071 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.1 m -58.73 -44.25 90.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.807 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -61.01 -50.39 73.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.45 0.643 . . . . 0.0 109.957 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.2 mm -60.61 -39.69 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.897 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -52.49 -59.49 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.84 -45.88 91.04 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.627 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 41.1 tp -61.06 -44.29 97.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.785 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 90.0 t80 -54.42 -48.25 71.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.629 0.728 . . . . 0.0 109.741 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.8 mtp-105 -60.57 -42.9 97.59 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.023 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.6 m -57.96 -41.1 82.18 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.868 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.402 ' HB3' HG23 ' A' ' 114' ' ' VAL . 95.6 mt -62.27 -41.11 98.18 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.96 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.12 -46.57 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.759 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.56 -48.23 81.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.9 -14.57 54.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.43 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.08 21.89 79.0 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.5 mt -72.35 -46.27 56.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.459 -0.87 . . . . 0.0 110.961 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.402 HG23 ' HB3' ' A' ' 108' ' ' LEU . 3.3 t -79.3 -34.3 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.313 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -95.91 99.35 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.818 0.342 . . . . 0.0 110.371 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.85 -17.92 11.44 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.19 106.31 1.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.295 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -124.43 118.44 26.67 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.434 -179.906 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 3.0 Cg_endo -71.28 -50.85 0.29 Allowed 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.163 1.908 . . . . 0.0 110.77 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.8 mt -63.55 -42.12 98.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.52 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.37 127.51 5.84 Favored Glycine 0 N--CA 1.466 0.652 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -69.66 -62.92 1.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.718 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -50.45 -31.91 16.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.91 -39.9 93.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -61.08 -43.76 98.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.3 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.78 -45.01 91.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.74 -45.84 92.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.11 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.24 -53.04 62.37 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 122.485 1.136 . . . . 0.0 109.8 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -54.17 -59.23 4.94 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 112.749 -2.023 . . . . 0.0 111.283 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' THR . 10.0 t -55.75 -40.59 72.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.114 0.483 . . . . 0.0 110.972 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -61.36 -45.13 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.551 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -28.38 61.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.848 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.67 -7.67 13.83 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.837 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' THR . 52.2 m -99.46 -11.34 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.634 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -69.54 -46.08 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 109.105 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 47.0 p-10 -48.12 -25.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.949 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 59.3 m-85 -96.34 104.48 16.45 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 23' ' ' VAL . 13.9 pt-20 -66.63 179.6 1.02 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.321 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.58 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 45.8 t-80 62.17 -0.23 0.5 Allowed 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.541 ' H ' ' C ' ' A' ' 21' ' ' GLU . 49.0 t -128.29 129.17 69.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.012 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -144.85 109.48 4.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.536 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.415 HD11 ' SG ' ' A' ' 13' ' ' CYS . 83.9 mt -72.93 101.46 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -105.44 -33.3 8.19 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.048 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' H ' ' HB3' ' A' ' 31' ' ' SER . 78.3 m-20 -158.98 144.34 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.896 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.472 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 43.9 m-85 -61.44 -8.17 3.83 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.832 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -99.09 -76.82 0.53 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.6 p -60.99 -37.67 83.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.429 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.483 ' HG ' ' HD1' ' A' ' 32' ' ' TRP . 1.1 p -72.94 -0.11 12.74 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.075 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.483 ' HD1' ' HG ' ' A' ' 31' ' ' SER . 37.6 m95 -115.54 -8.62 12.13 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.374 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 t -58.5 -17.2 19.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.434 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 36' ' ' MET . 54.2 p -86.03 -21.6 27.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.542 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.9 -11.51 27.63 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.434 ' H ' ' C ' ' A' ' 34' ' ' SER . 24.4 mmm -61.99 -32.6 73.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.691 -0.755 . . . . 0.0 110.214 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.23 -51.7 62.38 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.853 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.47 -45.31 84.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.722 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 14.9 p -69.71 -45.04 69.13 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.632 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.573 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.34 -42.15 99.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 tp -64.04 -42.54 97.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.743 0.306 . . . . 0.0 110.97 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 42' ' ' ILE . 28.2 mm -65.16 -42.9 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.602 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 39.9 t-80 -57.03 -41.02 77.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -37.93 29.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.853 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -88.97 -26.83 21.29 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.455 ' CG ' HD13 ' A' ' 74' ' ' LEU . 44.0 m-85 -128.66 97.28 27.88 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.55 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.6 Cg_endo -75.06 -38.9 1.36 Allowed 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.074 1.849 . . . . 0.0 112.05 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -66.78 -0.87 3.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.515 0.674 . . . . 0.0 109.378 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -64.12 -64.82 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.306 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.485 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 13.1 p90 -171.38 163.12 6.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.026 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -86.62 94.04 9.36 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.411 ' HA ' HD12 ' A' ' 55' ' ' LEU . 34.9 t80 -56.67 -23.21 40.11 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.92 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.31 -17.01 53.31 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.22 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -86.19 -18.0 33.36 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.073 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 52' ' ' TYR . 72.0 mt -68.9 -173.48 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.998 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.33 164.93 19.7 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.73 -13.12 20.03 Favored 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 121.648 1.565 . . . . 0.0 109.961 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.82 -9.0 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.387 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -116.05 45.2 1.79 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.106 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -64.88 -47.03 79.33 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -52.33 -46.42 66.05 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.314 0.578 . . . . 0.0 110.055 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -67.55 -34.58 77.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.233 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 49.0 t30 -61.42 -42.67 99.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.978 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 55.5 m-85 -66.83 -55.71 13.64 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.534 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.408 ' OG1' HG21 ' A' ' 83' ' ' VAL . 17.3 m -53.83 -42.55 68.59 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 70' ' ' THR . 65.5 tp -60.95 -48.83 80.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.58 81.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.294 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -79.21 -46.74 17.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.0 t -63.34 -29.73 70.99 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.046 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 21.2 m -76.25 -47.69 22.93 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.25 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.7 -34.91 78.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.9 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 93.1 mt-10 -71.78 -49.71 36.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 111.002 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.83 -41.11 95.14 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.961 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.455 HD13 ' CG ' ' A' ' 46' ' ' PHE . 94.8 mt -79.93 -43.69 21.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.45 8.31 7.74 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 29.3 t0 45.99 40.14 6.57 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.675 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.9 t -50.95 -164.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.539 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.58 170.77 10.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.487 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -128.32 41.33 3.51 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.759 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.34 -26.68 66.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.525 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mt -117.27 140.77 49.13 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.276 0.56 . . . . 0.0 111.828 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -108.72 142.77 38.75 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.255 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.431 ' O ' HG23 ' A' ' 87' ' ' VAL . 75.3 t -59.06 -52.03 65.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.644 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 4.1 p-10 -55.05 -46.3 75.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.056 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.64 -43.25 99.2 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.636 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.509 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.6 mtp -62.63 -41.63 99.13 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' VAL . 77.9 t -67.4 -43.21 87.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.072 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.74 -46.54 52.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.731 0.301 . . . . 0.0 111.522 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.65 -52.15 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.457 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.09 24.5 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -177.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 90' ' ' ALA . 70.2 t -162.13 88.68 1.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 113.767 -1.56 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.46 -167.36 0.33 Allowed 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.821 1.681 . . . . 0.0 111.327 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -128.05 132.84 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.091 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.4 t -49.46 -32.03 11.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.907 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -77.91 -32.66 51.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.78 0.324 . . . . 0.0 110.533 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.5 m -68.01 -52.69 32.74 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.312 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.62 -43.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 19.0 t80 -57.86 -50.7 72.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.281 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.9 m -58.23 -44.39 88.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.893 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.61 -49.64 74.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.289 0.566 . . . . 0.0 109.935 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.7 mm -60.32 -41.01 85.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.892 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.56 -62.29 1.68 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.305 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -57.88 -46.97 84.09 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.22 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.37 -45.36 93.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.69 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.34 -49.24 70.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.495 0.664 . . . . 0.0 109.832 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -58.49 -43.89 89.2 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.878 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.6 m -57.31 -39.36 75.62 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.826 0.346 . . . . 0.0 110.293 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.65 -41.41 98.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.29 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.79 -46.1 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.93 -49.09 76.15 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.346 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.19 -18.02 56.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.174 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.77 20.83 75.76 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 40.3 mt -74.38 -44.38 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.979 0.419 . . . . 0.0 110.945 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.49 -38.72 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.158 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -80.85 55.25 2.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.871 0.367 . . . . 0.0 110.451 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 116' ' ' THR . 3.9 t -92.06 1.25 57.32 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -71.7 55.42 0.26 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.969 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -139.42 154.21 47.75 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.228 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.478 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -70.0 -26.01 26.89 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.167 1.911 . . . . 0.0 110.103 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.11 -8.87 41.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.618 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.57 55.64 0.49 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -64.4 -56.83 11.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.917 0.389 . . . . 0.0 110.798 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -80.25 -9.66 59.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.762 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -60.21 -40.55 90.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 tpt -61.92 -47.24 85.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD12 ' CE2' ' A' ' 98' ' ' TYR . 92.1 mt -67.06 -40.94 87.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.34 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.19 -48.22 82.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.551 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.93 -52.26 66.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.555 1.169 . . . . 0.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.402 ' O ' ' CE ' ' A' ' 16' ' ' MET . 78.9 t90 -55.49 -59.98 4.06 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 112.472 -2.149 . . . . 0.0 111.533 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -54.61 -45.9 73.76 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.985 0.422 . . . . 0.0 110.706 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -58.92 -46.98 86.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.478 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -27.49 62.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.511 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.483 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.7 mpp? -104.25 0.4 29.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.733 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 17' ' ' THR . 39.5 m -103.43 -7.94 20.56 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.324 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 13.1 ptm180 -68.19 -42.53 79.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.622 0.725 . . . . 0.0 109.251 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.48 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 90.6 m-20 -52.68 -30.88 34.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.448 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' OH ' ' C ' ' A' ' 43' ' ' HIS . 81.8 m-85 -89.62 153.12 20.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.694 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 54.6 mp0 -116.94 169.81 9.11 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.476 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.649 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 32.2 t-80 64.67 3.91 2.15 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.461 ' H ' ' C ' ' A' ' 21' ' ' GLU . 85.9 t -123.1 126.82 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.248 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -139.96 105.75 5.16 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.659 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.2 mt -85.65 89.89 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -104.94 1.24 28.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.862 178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 28' ' ' PHE . 13.4 t-20 -170.08 179.29 3.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.246 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.424 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 54.5 m-85 -104.43 -10.43 17.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.949 0.404 . . . . 0.0 110.452 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 30' ' ' SER . 95.6 p -102.41 -69.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' ' OG ' ' A' ' 29' ' ' SER . 36.8 t -59.3 -40.9 87.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.645 -177.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -75.91 4.41 8.25 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.439 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.406 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 41.8 m95 -116.66 -11.24 11.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.748 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.437 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 67.3 m -55.5 -36.82 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.2 -178.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -69.54 -25.95 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 82.5 -8.56 61.42 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 108.756 -1.737 . . . . 0.0 108.756 -177.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.9 mmm -60.72 -29.86 69.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.609 -0.796 . . . . 0.0 110.269 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.71 -50.43 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.917 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.58 -43.74 84.81 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.26 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 19.4 p -72.89 -45.52 57.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 111.224 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.59 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.43 -42.72 99.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.634 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.61 -45.25 93.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.61 -42.92 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.746 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.419 ' C ' ' OH ' ' A' ' 20' ' ' TYR . 42.4 t-80 -57.51 -8.55 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HZ3' ' HG3' ' A' ' 16' ' ' MET . 0.2 OUTLIER -78.6 -37.41 42.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.536 -179.113 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -98.95 -17.7 18.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.255 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.444 ' CD1' HD13 ' A' ' 74' ' ' LEU . 98.6 m-85 -126.58 98.63 31.36 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.35 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -74.77 -37.57 2.13 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.844 1.696 . . . . 0.0 111.835 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.13 -0.07 5.41 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -60.12 -77.49 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.537 -1.211 . . . . 0.0 111.956 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CG ' HD21 ' A' ' 66' ' ' LEU . 8.1 p90 -166.65 159.96 14.57 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.545 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -81.81 92.6 6.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.512 ' HD1' ' HG ' ' A' ' 39' ' ' CYS . 64.5 t80 -56.08 -22.04 25.56 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.0 -22.79 36.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -81.05 -22.67 39.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -81.07 153.84 27.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.046 0.45 . . . . 0.0 111.22 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.12 169.11 9.51 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.291 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.32 -14.87 20.33 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.171 1.914 . . . . 0.0 110.176 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.14 -43.5 78.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.272 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -84.55 69.48 10.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.365 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 33' ' ' SER . 81.3 mtp180 -75.83 -51.21 13.07 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -50.67 -46.76 58.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.783 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -67.03 -36.57 82.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.731 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 18.2 t-20 -61.89 -43.83 98.04 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.048 0.451 . . . . 0.0 110.662 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.487 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 45.6 m-85 -68.92 -54.08 17.48 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.788 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.491 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.5 m -52.72 -43.15 65.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 50' ' ' PHE . 62.5 tp -59.81 -47.77 84.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.987 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -37.87 84.47 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.04 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -78.81 -53.05 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -60.94 -27.89 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.9 m -77.8 -45.33 24.79 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.265 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.71 78.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.972 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 96.6 mt-10 -73.8 -50.64 19.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.159 0.504 . . . . 0.0 111.002 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -58.74 -43.15 90.17 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.001 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.9 mt -77.73 -45.98 23.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.69 7.19 9.42 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 61.8 t0 45.77 38.78 4.57 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.865 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.25 -163.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.509 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.63 170.64 12.35 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.353 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -138.75 41.03 2.17 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.068 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 mt -65.63 -19.23 65.83 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.224 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mt -113.36 146.74 38.97 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.204 0.526 . . . . 0.0 112.174 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -114.53 141.77 47.28 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.161 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.491 HG21 ' OG1' ' A' ' 65' ' ' THR . 67.1 t -56.3 -52.43 51.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.274 -178.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -55.22 -46.28 75.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.037 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.13 -44.6 95.14 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.47 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 6.1 mtp -61.99 -44.83 95.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.336 0.589 . . . . 0.0 109.656 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.65 -42.29 80.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.969 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -70.03 -48.04 59.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.711 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.2 -50.78 64.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.184 0.516 . . . . 0.0 110.375 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 57.73 28.24 15.57 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 91' ' ' VAL . 79.7 t -162.71 60.66 1.04 Allowed Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.751 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.495 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.3 Cg_endo -46.42 -176.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.979 1.786 . . . . 0.0 111.144 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -118.25 130.18 55.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.425 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 t -49.53 -32.96 13.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.782 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.09 -36.12 61.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.5 m -65.38 -51.31 61.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.514 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.35 -43.6 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.515 ' CE2' HD12 ' A' ' 9' ' ' LEU . 29.2 t80 -58.85 -50.59 73.41 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.037 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 m -57.93 -44.78 87.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.015 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.9 -49.83 75.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.433 0.635 . . . . 0.0 110.105 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.438 ' CG2' HD22 ' A' ' 9' ' ' LEU . 7.3 mm -60.2 -40.83 84.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.933 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -52.4 -59.49 4.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.759 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.1 -45.75 90.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.5 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.38 -47.63 83.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.782 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -51.95 -47.15 64.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.782 0.801 . . . . 0.0 109.547 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.47 -39.45 90.94 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.094 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 52.2 m -59.27 -39.79 84.0 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.012 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 40.3 mt -67.26 -37.51 83.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.96 -47.9 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -65.41 -49.16 70.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -55.59 -29.84 59.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.149 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.99 18.52 55.85 Favored Glycine 0 N--CA 1.463 0.496 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.44 -44.85 64.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.521 -0.839 . . . . 0.0 111.107 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.4 t -72.8 -32.91 42.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.401 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -73.96 49.35 0.33 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.818 0.342 . . . . 0.0 110.553 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 25.0 m -74.09 -35.43 64.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.508 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -63.71 -74.01 0.11 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.509 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.453 ' O ' ' OXT' ' A' ' 119' ' ' LYS . 20.2 tptp -50.34 137.76 17.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.453 ' OXT' ' O ' ' A' ' 118' ' ' LYS . 84.1 tttt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.262 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -72.23 108.97 2.61 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.322 2.014 . . . . 0.0 110.346 179.473 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.1 mt -96.76 -11.84 24.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.369 -179.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.61 172.84 49.24 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 7' ' ' ASN . 80.3 p -47.07 -28.59 1.78 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.015 0.436 . . . . 0.0 110.546 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -58.41 -0.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.802 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.499 ' H ' ' C ' ' A' ' 5' ' ' SER . 34.7 t30 -70.19 -36.53 74.69 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.132 178.864 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.8 tpt -57.49 -49.96 74.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.251 -179.298 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.92 -45.19 90.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.33 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.98 -45.53 94.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.251 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -59.06 -51.06 71.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.587 1.184 . . . . 0.0 109.939 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -58.76 -62.86 1.56 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.519 -2.128 . . . . 0.0 111.291 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.4 m -52.31 -48.62 65.3 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.736 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -59.32 -51.15 71.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.552 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.88 -22.09 3.5 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.289 -179.179 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -108.31 -4.4 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.705 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 m -99.36 -8.23 25.12 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.234 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -64.54 -48.62 74.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.607 0.718 . . . . 0.0 109.588 179.159 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -51.78 -27.92 13.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.46 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -89.66 147.32 23.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.472 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 23' ' ' VAL . 96.8 mt-10 -114.4 173.65 6.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.883 -179.4 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.643 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 39.3 t-80 61.82 4.94 1.2 Allowed 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -179.517 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 21' ' ' GLU . 97.5 t -127.96 131.74 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.008 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 37.1 p-10 -145.07 109.63 4.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.687 179.221 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.3 mt -81.03 92.82 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 121.347 0.594 . . . . 0.0 112.419 -178.045 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -97.04 -21.13 17.57 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.978 178.357 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.514 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 13.4 t-20 -158.1 -174.1 4.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.207 179.237 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.514 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 65.8 m-85 -103.47 -11.66 17.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.102 0.477 . . . . 0.0 110.436 -179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.0 t -103.05 -76.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.678 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 m -59.5 -42.48 92.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.203 -178.038 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -67.6 -1.85 5.77 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.194 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 27.6 m95 -111.82 -4.19 14.69 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.369 -179.464 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.5 t -57.56 -17.4 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.592 -178.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 36' ' ' MET . 74.2 m -81.6 -19.74 41.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.265 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.504 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 74.33 -12.07 6.03 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -178.4 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.607 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 26.7 mtt -66.19 -31.8 72.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.711 -0.744 . . . . 0.0 110.591 179.123 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.41 58.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.368 -179.183 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -57.06 -45.17 83.43 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.176 -178.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 1.3 m -66.77 -45.0 79.89 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.544 -0.463 . . . . 0.0 111.408 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.22 99.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.469 -178.276 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.15 -43.67 91.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 -179.014 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.7 mm -64.97 -42.36 94.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.646 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -53.65 -47.47 70.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.389 . . . . 0.0 111.334 -178.161 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -43.54 -33.92 1.25 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.431 0.634 . . . . 0.0 110.903 -178.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -92.35 -25.59 18.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.394 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.604 ' HB3' ' HB2' ' A' ' 49' ' ' ALA . 59.0 m-85 -126.08 101.33 28.98 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.392 -177.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -78.09 -39.01 0.51 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.7 1.6 . . . . 0.0 111.626 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -68.08 -34.8 77.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.37 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 46' ' ' PHE . . . -34.16 -65.75 0.19 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.754 -179.421 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -170.03 162.1 8.93 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.455 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.79 108.94 20.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.63 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 30.8 t80 -66.16 -16.29 63.84 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.33 -20.78 39.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -16.03 51.48 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.747 -179.386 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.25 176.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.073 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -156.16 142.01 12.83 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.056 -179.445 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.82 -12.79 2.12 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 122.017 1.811 . . . . 0.0 109.906 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 56' ' ' ASP . . . -86.82 -10.22 54.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.057 -179.636 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -110.57 45.47 1.13 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.2 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -67.13 -52.24 44.21 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' A' ' 61' ' ' ARG . 17.4 mtp180 -52.26 -46.84 65.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.458 0.647 . . . . 0.0 109.689 -178.468 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -66.81 -33.43 75.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.435 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.545 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 25.4 t-20 -61.55 -41.99 98.19 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.506 -179.823 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.501 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 63.2 m-85 -69.0 -53.99 17.57 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.699 179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.5 m -56.46 -43.42 79.53 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.59 -47.47 85.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.173 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.9 90.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.063 -179.277 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 42.4 m-85 -79.62 -48.37 13.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.181 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -64.48 -27.74 69.19 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.48 HG21 ' HB1' ' A' ' 49' ' ' ALA . 69.1 m -78.36 -47.4 17.75 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.249 178.376 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.86 -34.06 77.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 82.4 tt0 -71.47 -49.24 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -63.32 -40.28 96.89 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.803 -178.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 46' ' ' PHE . 90.2 mt -84.52 -30.98 24.7 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.83 2.2 3.68 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -177.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 98.7 m-20 46.02 34.49 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.92 179.48 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.0 t -52.32 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.487 -178.684 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.411 ' HB2' ' OE1' ' A' ' 103' ' ' GLU . . . -87.78 168.67 12.74 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.337 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -132.7 42.02 3.12 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 1.6 mt -71.16 -17.41 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.369 -178.345 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.95 137.83 51.75 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.122 0.487 . . . . 0.0 111.888 -178.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -108.58 135.2 50.22 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.388 178.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 87' ' ' VAL . 69.8 t -51.99 -52.22 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.624 -178.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.55 -45.71 77.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.292 -178.456 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.72 -43.27 99.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.973 0.416 . . . . 0.0 110.293 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.501 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 6.1 mtp -62.24 -42.85 99.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.376 0.608 . . . . 0.0 110.25 179.081 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 83' ' ' VAL . 68.0 t -65.02 -42.77 95.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.97 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.36 -47.48 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.847 0.355 . . . . 0.0 111.837 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.66 -51.18 63.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.469 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 58.9 26.23 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.39 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 90' ' ' ALA . 69.5 t -162.39 90.13 1.35 Allowed Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.602 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -73.24 -170.94 0.71 Allowed 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 121.934 1.756 . . . . 0.0 111.352 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -123.15 131.48 53.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.308 179.227 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 t -51.94 -34.14 40.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.782 -178.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -71.14 -41.77 70.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.583 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.6 m -63.18 -51.01 68.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.483 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.44 -45.04 93.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.511 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 24.0 t80 -57.49 -50.47 72.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.085 179.753 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.3 m -57.8 -43.81 85.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.105 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -61.14 -50.6 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.316 0.579 . . . . 0.0 110.349 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.3 mm -60.78 -40.91 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.148 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -50.03 -63.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' OE1' ' HB2' ' A' ' 78' ' ' ALA . 75.8 tt0 -57.49 -44.27 84.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.798 -178.637 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.49 -47.53 83.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -52.58 -46.73 67.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.546 0.689 . . . . 0.0 109.451 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.04 -42.99 99.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.012 -178.468 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.539 ' OG ' ' NZ ' ' A' ' 111' ' ' LYS . 34.5 t -60.79 -41.17 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.868 179.052 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.09 -39.23 91.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.23 -46.22 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.449 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.01 -53.01 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.273 179.291 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.539 ' NZ ' ' OG ' ' A' ' 107' ' ' SER . 63.2 mttp -51.72 -28.18 14.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.333 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.51 18.18 59.1 Favored Glycine 0 N--CA 1.463 0.442 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 27.9 mt -75.14 -54.33 7.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.365 -0.917 . . . . 0.0 110.952 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.08 -43.13 85.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.539 -179.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -82.8 79.07 9.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.32 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.3 p -93.53 -8.74 40.51 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.01 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.632 ' O ' ' N ' ' A' ' 119' ' ' LYS . 61.3 mttp -142.02 144.25 33.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -58.73 66.02 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 O-C-N 123.386 0.429 . . . . 0.0 110.063 179.561 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.632 ' N ' ' O ' ' A' ' 117' ' ' LYS . 88.4 mttt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.433 -179.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -55.72 -32.25 83.27 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.115 1.877 . . . . 0.0 109.795 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' SER . 54.3 mt -86.33 -53.82 4.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.724 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.2 93.33 0.01 OUTLIER Glycine 0 N--CA 1.464 0.538 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.513 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 60.0 p -76.74 -67.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 110.552 -179.847 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' N ' ' OG ' ' A' ' 5' ' ' SER . 64.5 pttt -51.83 -25.8 8.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.642 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -62.32 -40.6 96.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.196 0.522 . . . . 0.0 109.787 179.595 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.435 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.2 tmt? -61.64 -47.97 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.357 179.56 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD22 ' CG2' ' A' ' 101' ' ' ILE . 81.5 mt -65.27 -43.69 90.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.514 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 tp -62.2 -47.28 85.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.619 -179.29 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.08 -53.91 52.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.606 1.193 . . . . 0.0 109.738 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.59 -60.61 3.18 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 112.559 -2.109 . . . . 0.0 111.274 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.9 t -52.59 -45.72 66.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.319 0.58 . . . . 0.0 110.998 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -61.14 -52.86 63.08 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.407 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.27 -17.91 0.3 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.36 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.8 mtt -113.06 -3.33 14.01 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.91 -11.16 27.11 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.179 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -67.46 -41.73 84.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.742 0.782 . . . . 0.0 109.701 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -53.08 -31.01 39.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.716 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.43 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 65.0 m-85 -107.75 106.1 16.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.033 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.595 ' C ' ' H ' ' A' ' 23' ' ' VAL . 57.0 mp0 -68.19 -172.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 -179.68 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.588 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 44.9 t-80 59.72 -0.1 0.22 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.745 0.783 . . . . 0.0 108.978 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.595 ' H ' ' C ' ' A' ' 21' ' ' GLU . 93.8 t -125.5 128.3 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.855 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -143.98 108.53 4.86 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.51 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.2 mt -79.17 97.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.351 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -111.85 -24.84 9.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.843 178.397 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' A' ' 29' ' ' SER . 18.7 t-20 -157.78 137.75 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.328 178.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 42.0 m-85 -61.42 -4.79 1.4 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.213 0.53 . . . . 0.0 110.651 -179.132 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 30' ' ' SER . 90.6 p -101.89 -74.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.522 ' N ' ' OG ' ' A' ' 29' ' ' SER . 62.0 p -58.08 -43.29 86.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.699 -177.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.1 m -72.22 1.71 7.17 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.228 -178.608 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.47 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 36.4 m95 -116.39 -8.59 11.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.762 -179.488 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.5 p -58.68 -18.97 35.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.232 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 36' ' ' MET . 88.8 p -86.42 -22.67 26.42 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.489 -179.342 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.68 -11.22 34.34 Favored Glycine 0 N--CA 1.459 0.171 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 -178.451 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.453 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.8 mmm -61.28 -30.03 70.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.496 -0.852 . . . . 0.0 110.304 179.49 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.39 -51.07 56.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.871 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.74 -41.96 78.44 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.342 -178.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 17.7 p -75.46 -43.39 49.77 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.283 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.559 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -60.19 -42.77 95.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.586 -178.658 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.64 -43.85 95.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.045 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.6 mm -66.29 -44.78 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.792 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 15.8 t-80 -56.2 -13.61 2.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.02 0.438 . . . . 0.0 111.386 -178.704 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -74.42 -39.56 62.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.464 -178.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -100.03 -15.01 18.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.85 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.52 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.6 m-85 -125.84 98.1 34.47 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.331 -178.468 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.23 -38.18 1.61 Allowed 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.755 1.637 . . . . 0.0 111.755 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.6 -9.6 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.803 0.811 . . . . 0.0 108.812 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.43 -75.47 0.04 OUTLIER 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 114.271 -1.331 . . . . 0.0 112.399 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 16.7 p90 -171.53 165.89 6.84 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.86 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 1.2 p30 -88.43 101.93 14.4 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.478 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.407 ' HA ' HD12 ' A' ' 55' ' ' LEU . 53.2 t80 -64.97 -20.25 66.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.26 -179.325 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.24 -10.32 59.79 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.792 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 2.7 tm-20 -100.32 -11.52 20.24 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.562 -179.346 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 52' ' ' TYR . 92.8 mt -80.76 152.88 28.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.962 0.411 . . . . 0.0 111.045 -179.297 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.05 162.6 40.54 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.045 -179.21 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -75.62 -9.72 19.99 Favored 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 122.31 2.007 . . . . 0.0 109.971 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.57 -9.85 59.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.089 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -112.83 55.34 0.7 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.328 -178.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -69.42 -46.35 67.01 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -53.1 -53.04 56.23 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.761 -178.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -62.71 -36.24 82.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.829 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 28.2 t-20 -62.17 -44.18 97.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.606 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.515 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 43.7 m-85 -68.8 -56.59 7.53 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.93 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.448 ' OG1' HG21 ' A' ' 83' ' ' VAL . 15.7 m -52.17 -43.05 63.93 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.731 179.506 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.439 HD21 ' CD2' ' A' ' 50' ' ' PHE . 55.4 tp -60.91 -48.88 79.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.315 -179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.08 79.67 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.205 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -79.29 -49.47 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.7 m -63.47 -29.57 70.83 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.466 HG22 HD12 ' A' ' 74' ' ' LEU . 29.0 m -75.14 -51.91 12.27 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.356 178.709 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.19 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' ASP . 15.4 tm-20 -71.37 -52.46 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.066 0.46 . . . . 0.0 110.61 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.14 -39.17 91.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.928 -178.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 46' ' ' PHE . 96.4 mt -78.12 -47.42 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.595 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.89 8.54 8.74 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -177.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' GLU . 99.5 m-20 45.94 38.95 5.01 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.039 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.91 -162.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.616 -178.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.2 170.82 10.7 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.308 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -136.99 39.74 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.02 -18.15 64.62 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.356 -178.406 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.03 145.15 42.58 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.178 0.513 . . . . 0.0 112.1 -178.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -111.43 143.7 41.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.325 178.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.448 HG21 ' OG1' ' A' ' 65' ' ' THR . 67.2 t -57.83 -51.81 65.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.29 -178.538 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -55.43 -46.63 76.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.195 -178.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -63.27 -44.38 95.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.803 0.335 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 3.5 mtp -61.91 -43.91 97.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.421 0.629 . . . . 0.0 109.897 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' VAL . 70.1 t -70.06 -41.85 79.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.127 179.109 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -71.74 -48.45 46.88 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.96 -179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.88 -54.57 40.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 61.3 19.86 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 -177.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 91' ' ' VAL . 95.9 t -155.37 57.7 1.69 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 113.689 -1.596 . . . . 0.0 109.998 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.8 Cg_endo -44.99 -179.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.895 1.73 . . . . 0.0 111.171 -179.519 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -113.96 129.18 56.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.974 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 m -48.78 -34.1 11.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.161 -178.486 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -73.71 -34.68 64.91 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.8 m -66.48 -51.12 60.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.614 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.6 -43.98 97.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.041 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 19.9 t80 -59.38 -51.41 70.05 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.3 m -56.73 -45.21 82.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.183 -179.575 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -62.15 -49.95 73.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.698 . . . . 0.0 110.068 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 9' ' ' LEU . 6.3 mm -59.63 -40.95 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.942 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -51.81 -60.29 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.445 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -59.44 -46.8 87.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.334 -179.187 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.8 tp -59.3 -45.48 91.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.675 -179.593 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -53.69 -48.49 69.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.53 0.681 . . . . 0.0 109.827 -179.418 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -60.91 -38.17 84.82 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.078 -178.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.7 m -59.61 -40.31 87.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.03 178.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.81 -36.68 80.84 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.205 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.65 -48.79 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -178.23 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 111' ' ' LYS . 12.6 pt20 -65.91 -47.97 73.0 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.51 0.671 . . . . 0.0 109.587 179.163 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 14.2 tptm -55.05 -28.88 55.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.054 -179.628 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.74 18.38 58.38 Favored Glycine 0 N--CA 1.463 0.436 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.348 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.4 mt -74.5 -43.58 55.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.226 -0.987 . . . . 0.0 110.999 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.87 -38.25 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.217 -179.127 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -98.83 89.88 4.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 0.0 110.494 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.3 p -87.39 -51.61 5.84 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.247 0.546 . . . . 0.0 111.422 -179.448 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -144.52 145.33 31.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.161 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -83.19 147.69 27.89 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.202 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.6 mptt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.855 -1.069 . . . . 0.0 110.053 -179.333 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.414 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -69.5 -29.81 24.51 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.135 1.89 . . . . 0.0 110.374 179.556 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.9 mt -103.72 -63.99 1.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.57 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.56 35.44 67.8 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -75.59 -58.97 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 111.155 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -102.51 -9.41 20.22 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.016 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -73.89 -36.33 64.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.097 179.703 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.442 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -50.57 -55.45 16.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.988 -179.517 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.67 -45.2 87.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.0 -46.11 92.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.457 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.44 -53.59 56.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.551 1.167 . . . . 0.0 109.882 179.32 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.493 ' O ' ' CE ' ' A' ' 16' ' ' MET . 87.0 t90 -54.4 -62.07 1.89 Allowed 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 112.683 -2.053 . . . . 0.0 111.067 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 m -51.71 -45.2 63.48 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.973 0.416 . . . . 0.0 110.643 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.2 ttp180 -63.02 -52.35 63.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.714 0.769 . . . . 0.0 110.233 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -44.32 -15.94 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.159 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.616 ' N ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -104.03 -20.86 13.71 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.683 -179.271 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.548 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.4 p -68.55 -11.21 59.62 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.205 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 35.6 ptt-85 -63.6 -37.87 88.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.783 0.802 . . . . 0.0 109.462 179.253 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.44 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 36.1 t30 -66.69 -36.36 82.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.022 -179.838 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.526 ' O ' ' O ' ' A' ' 17' ' ' THR . 70.2 m-85 -98.65 151.92 20.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.683 -179.155 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 23' ' ' VAL . 10.7 pt-20 -117.32 176.17 5.28 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.881 -179.42 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.601 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.7 OUTLIER 59.79 9.62 1.74 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.867 0.842 . . . . 0.0 108.745 -179.501 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.415 ' H ' ' C ' ' A' ' 21' ' ' GLU . 54.1 t -122.29 131.62 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.945 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 42.1 p-10 -145.7 106.02 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.621 179.638 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.2 mt -85.11 89.97 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 112.722 -178.243 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -100.7 -13.04 18.67 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.959 178.238 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -157.51 176.44 12.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.384 179.137 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 66.6 m-85 -99.48 -6.58 27.34 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.97 0.414 . . . . 0.0 110.376 -179.749 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.3 m -104.24 -72.21 0.71 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -177.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 m -57.26 -43.9 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -177.745 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -72.93 2.33 7.08 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.175 -179.075 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.408 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 41.3 m95 -115.74 -10.83 11.71 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.772 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 4.8 m -62.38 -9.62 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.188 -178.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.5 t -91.16 -23.2 20.32 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -179.444 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.54 -15.28 7.69 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -177.822 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.501 ' H ' ' C ' ' A' ' 34' ' ' SER . 11.8 mmm -61.27 -28.23 69.03 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.656 -0.772 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.56 -49.12 43.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.682 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -45.18 90.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.005 -179.174 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 15.4 p -68.79 -46.52 68.48 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.274 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.613 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -64.77 -41.23 96.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.351 -178.651 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.36 -42.62 99.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.929 0.395 . . . . 0.0 110.964 -178.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.59 -39.55 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.268 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -56.84 -40.64 76.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.4 -178.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.467 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 4.3 tmtt? -53.03 -36.4 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.689 -178.131 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -89.71 -36.93 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.619 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 99.2 m-85 -115.34 73.34 3.74 Favored Pre-proline 0 C--O 1.217 -0.646 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.137 -178.15 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.69 -37.44 15.85 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 121.748 1.632 . . . . 0.0 112.043 -178.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -63.99 -20.89 66.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.366 0.603 . . . . 0.0 109.4 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' PHE . . . -33.39 -77.57 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.329 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -168.14 162.28 12.9 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.444 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -77.79 93.37 4.32 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -61.01 -20.74 62.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.978 -179.089 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.64 -20.02 44.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.662 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -84.38 -14.59 49.03 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.791 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.8 mt -82.19 148.45 28.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 111.03 -179.091 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' ALA . 3.5 m-20 -125.67 147.21 57.6 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.211 -179.625 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -51.34 -10.67 0.47 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.045 1.83 . . . . 0.0 109.887 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -72.46 -44.27 62.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.662 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -88.04 59.51 5.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.58 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.534 ' NH2' ' O ' ' A' ' 33' ' ' SER . 27.8 mtp85 -70.96 -52.59 18.94 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.51 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -52.44 -49.17 65.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.413 0.625 . . . . 0.0 110.231 -178.416 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -60.54 -33.68 73.02 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.82 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.542 HD22 ' CB ' ' A' ' 39' ' ' CYS . 6.4 t-20 -62.51 -41.03 98.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.339 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 52.4 m-85 -66.22 -58.71 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.63 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.504 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.9 m -51.59 -42.61 62.05 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.712 179.46 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.7 -48.18 82.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.184 -179.509 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -38.22 86.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.051 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -78.47 -48.8 14.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.074 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.8 t -63.72 -27.22 69.05 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.95 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.4 m -78.59 -45.43 21.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.354 178.401 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.48 80.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.752 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ASP . 44.3 tp10 -72.41 -49.8 31.01 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.933 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.39 -41.9 94.79 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.976 -178.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.9 mt -87.75 -40.71 13.86 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -179.09 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.98 -0.68 12.71 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.499 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 77' ' ' CYS . 98.4 m-20 49.12 34.08 5.51 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.831 179.559 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.3 t -49.07 -163.77 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.666 -178.825 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.73 174.38 7.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.331 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -127.97 40.67 3.64 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.8 -26.59 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.754 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mt -114.37 142.26 46.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.228 0.537 . . . . 0.0 112.24 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -110.96 142.66 42.77 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.171 178.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.504 HG21 ' OG1' ' A' ' 65' ' ' THR . 55.5 t -56.16 -52.34 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.386 -178.628 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 88' ' ' ARG . 91.9 m-20 -55.93 -46.08 78.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.182 -178.274 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.77 -44.44 96.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.856 0.36 . . . . 0.0 110.174 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.4 mtp -62.68 -44.49 96.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.379 0.609 . . . . 0.0 109.436 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.38 -40.53 77.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.83 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' ASP . 53.0 ttp180 -72.1 -48.67 42.21 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.905 0.383 . . . . 0.0 111.985 -179.628 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.82 -49.81 64.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.365 -179.079 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 57.61 25.22 11.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.553 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 91' ' ' VAL . 97.0 t -158.35 59.86 1.66 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.676 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.483 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.3 Cg_endo -46.28 -176.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 121.967 1.778 . . . . 0.0 111.226 -179.617 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -117.04 130.02 56.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.311 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -49.44 -33.19 13.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.209 -178.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -75.61 -33.25 60.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.63 179.157 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.3 m -67.46 -53.57 27.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.89 -44.48 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.293 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 16.6 t80 -59.03 -50.48 73.92 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.154 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.2 m -58.44 -44.28 89.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.721 -179.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.49 -49.67 75.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.334 0.588 . . . . 0.0 110.052 179.424 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.9 mm -61.11 -41.04 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.161 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -49.46 -63.12 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.825 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -57.87 -44.14 86.44 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.904 -178.68 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.89 -44.72 96.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -53.63 -47.74 70.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.697 0.76 . . . . 0.0 109.618 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -60.48 -42.75 96.89 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.847 -178.23 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.5 p -58.9 -38.67 79.43 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.805 179.097 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.4 -41.01 96.88 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.921 179.648 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.81 -46.46 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.245 -178.421 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -51.52 64.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.299 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -53.9 -24.44 16.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.446 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.6 19.82 65.25 Favored Glycine 0 N--CA 1.461 0.314 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.0 mt -75.03 -55.02 6.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.61 -0.795 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.71 -41.28 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.784 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -80.93 75.91 7.89 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.417 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -88.98 -12.68 40.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.273 -179.585 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -67.38 -72.84 0.15 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.512 -179.712 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -53.19 139.7 28.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.13 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 65.5 mttp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.458 -179.419 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -54.5 -26.15 43.82 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.097 1.865 . . . . 0.0 109.75 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.35 -17.7 64.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.4 59.24 0.59 Allowed Glycine 0 N--CA 1.465 0.604 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.488 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 33.6 p -66.98 -61.45 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.556 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.488 ' N ' ' OG ' ' A' ' 5' ' ' SER . 67.6 mttm -45.67 -35.86 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.688 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -64.53 -38.7 91.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.867 179.364 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.0 OUTLIER -60.25 -48.53 81.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.342 -179.698 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 98' ' ' TYR . 86.5 mt -64.29 -43.07 95.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.408 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.1 tp -60.47 -48.28 82.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.493 -179.197 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.69 -55.0 40.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.568 1.175 . . . . 0.0 110.101 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -53.91 -62.24 1.78 Allowed 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.421 -2.172 . . . . 0.0 111.366 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -50.86 -36.09 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.413 0.625 . . . . 0.0 111.029 179.463 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' C ' ' H ' ' A' ' 16' ' ' MET . 35.2 ttm180 -70.83 -48.16 55.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.736 0.779 . . . . 0.0 110.563 179.296 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.533 ' O ' ' NH1' ' A' ' 18' ' ' ARG . . . -47.52 -13.43 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.477 -179.062 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.446 ' H ' ' C ' ' A' ' 14' ' ' ARG . 13.7 ptp -121.79 -0.43 9.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.045 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.516 ' OG1' HD12 ' A' ' 25' ' ' ILE . 85.8 m -85.4 -13.46 49.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.217 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.533 ' NH1' ' O ' ' A' ' 15' ' ' ALA . 79.2 mtm-85 -64.81 -34.34 78.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.411 0.624 . . . . 0.0 109.922 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.418 ' ND2' ' CE1' ' A' ' 20' ' ' TYR . 11.6 t30 -62.74 -37.72 87.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.38 -179.556 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.432 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 54.1 m-85 -104.52 94.46 5.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.597 -179.306 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' C ' ' H ' ' A' ' 23' ' ' VAL . 97.0 mt-10 -68.0 -172.48 0.3 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.494 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.3 t60 61.4 0.17 0.42 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.621 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.578 ' H ' ' C ' ' A' ' 21' ' ' GLU . 72.0 t -124.05 129.22 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.345 -179.7 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -137.04 107.33 6.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.887 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.516 HD12 ' OG1' ' A' ' 17' ' ' THR . 91.0 mt -85.09 87.46 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.412 0.625 . . . . 0.0 112.182 -178.317 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -94.0 -23.69 17.93 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.084 178.347 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -147.33 -175.7 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.819 -1.082 . . . . 0.0 108.214 178.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 68.3 m-85 -105.1 -7.31 19.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.072 0.463 . . . . 0.0 110.318 -179.505 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' A' ' 30' ' ' SER . 94.6 p -106.22 -68.6 0.87 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -177.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.467 ' N ' ' OG ' ' A' ' 29' ' ' SER . 77.9 p -59.56 -45.21 92.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.541 -177.801 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.8 m -74.16 6.19 3.73 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.315 -178.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.42 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.8 m95 -116.33 -8.46 11.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.714 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.5 m -55.52 -39.07 70.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.228 -179.011 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -64.12 -26.61 68.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.49 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 81.15 -10.94 45.83 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 108.774 -1.73 . . . . 0.0 108.774 -178.064 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.421 ' H ' ' C ' ' A' ' 34' ' ' SER . 48.4 mmm -62.23 -27.23 68.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.605 -0.797 . . . . 0.0 110.282 179.273 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.08 -50.27 56.09 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 -179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.22 -44.99 88.45 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.061 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 4.6 m -66.55 -47.23 73.51 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.044 -179.678 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -61.5 -42.08 98.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.409 -178.401 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD1' ' SD ' ' A' ' 16' ' ' MET . 53.6 tp -61.95 -43.0 99.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -178.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.2 mm -66.93 -42.76 89.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.542 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 32.8 t-80 -56.19 -12.67 1.64 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.275 -178.494 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -79.33 -38.03 36.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.633 -179.588 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.4 m-85 -82.57 -41.95 18.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.972 -178.251 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.534 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 20.0 m-85 -122.77 74.91 46.59 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.436 -178.135 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.0 Cg_endo -46.2 -34.78 14.14 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.906 1.737 . . . . 0.0 111.423 -179.094 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.83 -4.78 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.568 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -52.96 -70.57 0.09 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.612 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 5.3 p90 -169.92 164.95 9.7 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.614 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -82.85 94.76 7.75 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.686 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -61.87 -21.96 65.13 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 120.967 0.413 . . . . 0.0 111.169 -179.001 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.53 -14.39 58.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.66 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -92.21 -14.3 29.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.4 mt -84.33 151.58 24.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 110.95 -179.27 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.73 162.37 35.05 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.398 -179.35 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -74.82 -12.39 21.91 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 122.197 1.932 . . . . 0.0 110.019 179.168 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.78 -44.87 72.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.305 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -87.7 68.85 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.432 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -73.51 -46.07 50.09 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -51.81 -47.46 64.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.144 0.497 . . . . 0.0 110.542 -178.48 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -66.4 -36.71 83.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.756 179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 18.6 t-20 -61.63 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.144 0.497 . . . . 0.0 110.627 -179.378 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.576 ' HB2' HG13 ' A' ' 83' ' ' VAL . 48.2 m-85 -68.32 -55.18 12.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.707 179.274 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.7 m -52.64 -42.64 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.387 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.11 -49.89 75.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.007 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.61 -38.17 77.44 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.876 -178.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -80.5 -49.94 10.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.041 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.9 p -62.16 -31.1 71.56 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.782 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.9 m -76.0 -48.73 19.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.355 178.43 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -64.47 -32.74 74.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 76' ' ' ASP . 84.7 tt0 -70.47 -51.62 27.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.058 0.456 . . . . 0.0 110.62 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.44 -38.98 82.11 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.829 -178.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.418 HD13 ' CG ' ' A' ' 46' ' ' PHE . 85.7 mt -77.41 -49.06 15.65 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.19 8.7 9.18 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.78 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' A' ' 72' ' ' GLU . 98.8 m-20 47.4 40.14 10.38 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.034 179.305 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.542 ' SG ' ' CD1' ' A' ' 104' ' ' LEU . 62.3 m -48.0 -169.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.472 -178.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.72 170.9 13.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.33 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -126.64 35.39 4.64 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.1 -26.67 66.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.341 -178.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.94 145.94 37.47 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.284 0.564 . . . . 0.0 112.079 -178.572 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -116.41 135.68 53.64 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.3 179.09 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' A' ' 64' ' ' PHE . 70.5 t -52.14 -53.71 17.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.529 -178.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.64 -45.08 73.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.004 -178.505 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.84 -45.4 94.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.905 0.383 . . . . 0.0 110.087 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.409 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 13.9 mtp -61.85 -45.69 92.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.325 0.583 . . . . 0.0 109.941 179.123 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.51 -42.21 86.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.841 179.225 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -71.24 -48.6 50.22 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.611 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 91.4 mt -67.55 -49.27 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.275 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 56.69 29.91 16.62 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -177.353 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 91' ' ' VAL . 78.2 t -162.89 61.41 1.1 Allowed Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 113.582 -1.645 . . . . 0.0 109.931 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.4 Cg_endo -45.8 -177.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 121.871 1.714 . . . . 0.0 111.229 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 96' ' ' CYS . 27.7 t0 -120.61 131.59 54.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.446 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.7 m -45.97 -32.71 2.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.041 -178.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.638 ' O ' HG22 ' A' ' 99' ' ' THR . 11.6 ptmm? -79.49 -27.81 41.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.338 179.463 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 93' ' ' ASP . 9.7 m -72.34 -41.64 66.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.451 0.643 . . . . 0.0 110.537 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.73 -43.09 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.107 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 22.0 t80 -62.07 -52.73 62.73 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.577 -178.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 95' ' ' LYS . 14.9 t -59.19 -42.2 90.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.3 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' N ' HG23 ' A' ' 99' ' ' THR . 62.5 t80 -62.53 -50.9 69.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.488 0.661 . . . . 0.0 110.079 179.091 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.0 mm -60.04 -37.5 72.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.057 179.754 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -53.38 -59.22 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.691 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -59.44 -46.85 87.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.498 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.542 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 14.1 tp -61.39 -44.51 97.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.705 -179.86 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' ILE . 91.7 t80 -53.82 -48.35 69.98 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.49 0.662 . . . . 0.0 109.678 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -61.02 -38.76 87.24 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.937 -178.634 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 t -59.18 -40.51 85.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.636 178.75 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.6 mt -67.75 -38.11 83.04 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.075 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.69 -49.09 85.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.929 -177.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -64.15 -43.73 94.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.327 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -61.88 -25.78 67.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.37 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.74 20.07 58.71 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.393 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.681 ' O ' HG23 ' A' ' 116' ' ' THR . 18.1 mt -75.98 -38.52 57.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.367 -0.916 . . . . 0.0 110.941 179.071 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.65 -32.39 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.541 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -82.87 49.11 1.44 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.033 0.444 . . . . 0.0 110.724 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 113' ' ' LEU . 3.2 p -93.35 -0.75 56.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.232 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -78.28 -72.85 0.35 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.501 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -51.86 157.62 1.19 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.721 -179.743 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -71.96 138.17 30.72 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.47 2.113 . . . . 0.0 110.335 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.4 mt -68.9 -45.65 70.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.764 -179.453 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.15 12.29 84.22 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -67.48 -62.25 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.016 0.436 . . . . 0.0 110.611 -179.619 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -47.95 -34.23 8.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.611 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -63.08 -40.64 98.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.837 179.672 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.6 tmt? -59.51 -46.04 89.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.467 HD12 ' CE2' ' A' ' 98' ' ' TYR . 96.6 mt -62.69 -45.16 94.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.27 -47.31 86.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.509 -179.182 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -59.15 -53.43 58.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.44 1.114 . . . . 0.0 110.216 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 83.4 t90 -52.95 -59.74 4.15 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 112.541 -2.118 . . . . 0.0 111.111 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' THR . 5.1 t -54.2 -43.77 71.04 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.943 179.164 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -60.0 -35.03 74.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.243 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 12' ' ' TRP . . . -65.87 -29.03 69.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.774 -178.57 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.41 ' H ' ' HG2' ' A' ' 16' ' ' MET . 12.4 ptp -116.08 -2.55 12.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -178.188 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' CYS . 61.1 m -99.31 -13.13 19.78 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.971 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' TYR . 72.0 ttt180 -68.0 -45.75 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 109.674 179.155 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -40.71 -25.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.871 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ARG . 64.1 m-85 -104.36 101.32 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.758 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.583 ' C ' ' H ' ' A' ' 23' ' ' VAL . 18.3 pt-20 -66.43 -175.94 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.71 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.639 ' NE2' ' SD ' ' A' ' 36' ' ' MET . 0.9 OUTLIER 61.49 -0.76 0.36 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.729 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.583 ' H ' ' C ' ' A' ' 21' ' ' GLU . 70.0 t -125.66 128.82 72.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.47 -179.797 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 99.6 m-20 -141.83 110.47 6.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.879 179.723 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.5 mt -76.96 104.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.521 0.676 . . . . 0.0 112.723 -178.545 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.412 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 63.6 tt0 -104.5 -31.11 9.62 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.874 178.579 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 26' ' ' GLN . 93.3 m-20 -151.15 -172.22 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.234 178.683 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 68.3 m-85 -101.81 -4.96 25.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.167 0.508 . . . . 0.0 110.393 -179.572 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -109.63 -65.08 1.18 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.085 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -60.78 -45.68 93.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.462 -178.319 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -74.86 4.98 5.55 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.859 -178.716 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.405 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 35.9 m95 -115.73 -7.8 12.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.748 -179.435 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.5 p -54.87 -33.63 62.08 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.345 -178.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 36' ' ' MET . 78.3 p -66.79 -26.26 66.87 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.403 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 75.67 -12.68 7.78 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 -178.047 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.639 ' SD ' ' NE2' ' A' ' 22' ' ' HIS . 86.7 mtp -68.82 -20.43 64.31 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.59 -0.805 . . . . 0.0 110.181 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.55 -49.82 56.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.261 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -40.54 71.73 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.789 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 17.0 m -70.22 -44.39 68.71 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.084 -179.103 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.82 99.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.501 -178.476 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.22 -41.22 98.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.503 ' C ' ' H ' ' A' ' 44' ' ' LYS . 3.2 mm -69.13 -43.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.584 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 16.2 t-80 -50.39 -8.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.4 -178.102 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -87.32 -33.41 19.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.987 -179.837 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -87.97 -32.15 19.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.854 -178.261 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.515 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 13.7 m-85 -136.72 67.49 58.16 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.35 -178.321 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.1 Cg_endo -45.29 -34.35 9.95 Favored 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 121.983 1.789 . . . . 0.0 111.562 -179.267 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.17 -2.44 2.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -60.19 -66.35 0.54 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.854 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.433 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 5.7 p90 -167.59 162.01 13.98 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.59 179.627 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -82.88 93.19 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.593 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.28 -23.8 50.74 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 -179.229 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.28 -14.27 59.13 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.621 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -92.13 -17.86 24.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.804 -179.286 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.33 151.88 26.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.071 0.462 . . . . 0.0 111.142 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.95 164.1 24.21 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.353 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -74.87 -13.54 21.7 Favored 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 122.085 1.857 . . . . 0.0 110.136 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.73 -46.44 65.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.279 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -85.26 50.34 1.93 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.194 -179.082 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -62.94 -42.58 99.85 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.403 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -51.86 -49.33 63.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.432 0.634 . . . . 0.0 110.507 -178.807 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -66.1 -34.41 77.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.687 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.444 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 3.5 t-20 -61.57 -42.74 99.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.528 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 39.8 m-85 -65.73 -57.75 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.368 179.344 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.443 ' OG1' HG21 ' A' ' 83' ' ' VAL . 13.9 m -52.37 -43.31 64.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.476 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.15 -50.67 73.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.129 -179.295 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 -39.06 76.5 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.944 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -79.57 -47.03 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.054 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 t -61.12 -29.19 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.798 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.9 m -80.1 -46.55 16.28 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.154 178.313 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.44 83.82 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 76' ' ' ASP . 85.2 tt0 -72.32 -50.93 23.2 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.697 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -58.02 -40.7 81.45 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.691 -0.803 . . . . 0.0 110.769 -178.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD13 ' CG ' ' A' ' 46' ' ' PHE . 99.5 mt -81.05 -51.69 8.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.93 4.86 15.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 72' ' ' GLU . 72.2 m-20 47.9 40.04 12.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 119.824 -0.751 . . . . 0.0 110.048 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.3 t -47.76 -171.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.646 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.57 171.87 12.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.326 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -125.22 69.51 1.14 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 mt -102.44 -26.33 13.3 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.629 -178.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -109.09 142.26 40.08 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.299 0.571 . . . . 0.0 112.035 -178.423 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -116.98 128.39 55.14 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.02 178.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.443 HG21 ' OG1' ' A' ' 65' ' ' THR . 69.9 t -44.68 -55.84 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.761 -179.065 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 88' ' ' ARG . 96.8 m-20 -53.48 -46.41 69.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.396 -178.269 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -62.38 -45.03 94.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.01 0.433 . . . . 0.0 110.117 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 14.8 mtp -61.04 -46.23 91.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.46 0.648 . . . . 0.0 110.004 179.575 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.31 -41.94 78.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.093 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HG3' HH11 ' A' ' 88' ' ' ARG . 54.4 ttm-85 -69.56 -47.29 64.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.773 0.321 . . . . 0.0 111.794 -179.311 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 87.2 mt -64.31 -52.14 59.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.078 0.466 . . . . 0.0 110.337 -179.411 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 64.14 24.76 13.54 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.152 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 91' ' ' VAL . 73.6 t -162.49 59.88 0.98 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 113.822 -1.535 . . . . 0.0 109.644 -179.638 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.479 ' O ' ' O ' ' A' ' 91' ' ' VAL . 3.1 Cg_exo -43.83 175.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 121.909 1.739 . . . . 0.0 111.339 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 91.4 m-20 -111.05 126.21 54.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.228 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.3 p -50.85 -31.94 18.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.09 -178.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -69.11 -42.43 76.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.37 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.628 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 2.4 p -65.78 -46.74 77.61 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.783 -179.25 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.628 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 91.1 t -63.12 -46.36 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CE2' HD12 ' A' ' 9' ' ' LEU . 21.1 t80 -58.67 -50.21 74.7 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.981 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 m -58.42 -42.7 87.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.986 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -62.55 -52.01 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.445 0.641 . . . . 0.0 110.446 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' TYR . 27.6 mm -59.36 -39.83 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.201 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -52.98 -59.18 4.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.741 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -60.36 -47.86 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.591 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.15 -45.34 93.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.767 -179.541 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' ILE . 84.0 t80 -54.32 -48.36 71.43 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.667 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -60.15 -43.2 95.93 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.777 -1.102 . . . . 0.0 111.106 -178.744 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.8 m -56.44 -41.6 76.7 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.738 178.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.99 -39.79 94.93 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.34 -47.03 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.438 -178.478 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.51 -45.35 93.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.253 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -65.86 -15.23 62.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.332 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.61 23.53 76.63 Favored Glycine 0 N--CA 1.463 0.497 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.22 -49.43 27.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.001 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 115' ' ' LYS . 2.5 t -51.34 -67.07 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.149 -178.546 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 114' ' ' VAL . 34.6 mtmm -65.12 83.01 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.6 m -72.42 -58.81 3.09 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.303 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -126.86 104.45 8.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.202 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -72.5 130.8 41.5 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.268 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.468 -179.495 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.411 -1.475 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -70.6 -19.65 31.87 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.327 2.018 . . . . 0.0 110.071 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.89 -17.19 60.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.844 -179.509 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.42 163.9 37.97 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.49 ' C ' ' H ' ' A' ' 7' ' ' ASN . 79.4 p -45.22 -36.56 3.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.914 0.388 . . . . 0.0 110.409 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -53.89 -6.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.692 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.49 ' H ' ' C ' ' A' ' 5' ' ' SER . 55.8 t-20 -68.11 -39.44 82.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.982 179.401 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 tpt -56.32 -48.11 77.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.423 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.97 -46.2 85.67 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.431 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.99 -46.59 88.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.671 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 37.3 tt0 -57.65 -46.85 83.66 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.563 1.173 . . . . 0.0 109.913 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -67.31 -65.04 0.74 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.326 -2.215 . . . . 0.0 111.159 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 m -50.83 -50.66 56.09 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -59.99 -48.81 80.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.501 -179.445 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 11' ' ' GLU . . . -55.06 -38.48 68.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.628 -179.002 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.469 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.2 mpp? -89.09 -0.73 57.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.687 -179.483 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 17' ' ' THR . 87.4 m -103.81 -5.77 22.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.325 -179.474 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -65.72 -46.21 79.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.715 0.769 . . . . 0.0 109.86 178.414 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -51.33 -30.0 17.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.995 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 64.6 m-85 -97.43 99.43 10.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.115 -179.453 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.58 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.96 -177.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.407 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.685 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 19.2 t-80 62.38 -1.02 0.45 Allowed 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.867 0.842 . . . . 0.0 108.796 -179.589 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.58 ' H ' ' C ' ' A' ' 21' ' ' GLU . 64.6 t -128.53 131.39 68.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.9 -179.657 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -146.82 110.63 4.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.716 179.23 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -82.96 94.83 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -93.36 -24.78 17.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.975 178.252 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.422 ' H ' ' HB3' ' A' ' 31' ' ' SER . 34.2 m120 -151.73 -172.07 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.24 178.802 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.409 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 60.1 m-85 -104.61 -11.86 16.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.098 0.475 . . . . 0.0 110.472 -179.515 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 p -104.69 -71.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.778 -178.121 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -61.17 -42.63 98.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.196 -178.661 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB3' ' H ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -70.7 0.14 7.63 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.821 -178.626 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.409 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.9 m95 -113.09 -5.05 13.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.653 -179.575 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.434 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 70.9 m -63.33 -4.76 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.449 -178.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 36' ' ' MET . 4.7 t -91.91 -24.47 19.29 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.721 -179.223 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.535 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 79.31 -16.18 10.39 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 -177.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.488 ' H ' ' C ' ' A' ' 34' ' ' SER . 36.3 mmm -62.61 -31.07 71.84 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.535 -0.833 . . . . 0.0 110.382 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -52.07 62.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.994 -178.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.17 -45.56 87.29 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.105 -178.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.491 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 8.9 m -68.32 -47.05 68.56 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.289 -179.265 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -62.17 -41.86 98.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.579 -177.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.09 -45.19 94.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.893 0.378 . . . . 0.0 110.767 -178.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' C ' ' H ' ' A' ' 44' ' ' LYS . 6.3 mm -66.46 -44.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.887 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 29.5 t-80 -55.38 -6.61 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.403 -178.038 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 42' ' ' ILE . 6.0 tmtt? -84.05 -35.04 24.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.341 -179.443 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.14 -19.31 17.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.674 -178.619 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -128.42 98.1 26.68 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.319 -178.44 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.484 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -74.53 -37.3 2.45 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.826 1.684 . . . . 0.0 111.721 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 21.4 mp0 -70.75 2.82 3.72 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -61.89 -77.55 0.05 OUTLIER 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.04 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.537 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.0 p90 -165.56 159.35 16.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.657 179.277 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -81.04 94.37 6.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.62 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -62.16 -22.06 65.57 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.203 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.32 -13.05 59.89 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.673 -179.727 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -96.31 -11.43 25.91 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.749 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -84.23 152.17 24.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.943 0.401 . . . . 0.0 111.105 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -123.92 164.18 30.85 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.436 -179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -74.65 -9.11 21.09 Favored 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.308 2.005 . . . . 0.0 110.048 179.165 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.25 62.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.162 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -90.8 53.3 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.538 -178.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 33' ' ' SER . 57.3 mtp180 -64.33 -45.18 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.687 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -50.66 -48.42 58.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.191 0.52 . . . . 0.0 110.387 -178.492 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -65.85 -34.6 78.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.692 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 24.9 t30 -61.25 -42.49 98.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.53 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 56.1 m-85 -67.53 -55.29 14.09 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.389 179.482 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.457 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.7 m -54.15 -41.69 68.72 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.31 -49.52 76.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.24 -38.65 84.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.96 -179.035 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -79.53 -48.41 13.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.002 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.4 t -65.67 -28.04 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.947 -179.74 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.7 m -79.14 -48.09 14.92 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.144 178.624 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.45 78.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.089 -179.599 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 76' ' ' ASP . 86.2 tt0 -74.78 -46.61 35.81 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 110.683 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -59.13 -42.86 91.63 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.702 -178.644 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.33 -44.26 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.87 2.49 17.05 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -177.274 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 72' ' ' GLU . 91.5 m-20 50.11 31.72 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.881 179.506 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' ASP . 22.7 p -49.21 -165.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.619 -178.879 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.64 174.98 7.07 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.274 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -131.31 40.14 3.46 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.44 -26.65 68.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.53 -178.846 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -112.35 145.75 39.51 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.357 0.599 . . . . 0.0 112.13 -178.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -114.23 140.95 48.15 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.117 178.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG21 ' OG1' ' A' ' 65' ' ' THR . 52.9 t -58.0 -52.3 59.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.381 -178.657 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -53.93 -46.03 71.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.241 -178.665 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.65 -43.48 98.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.903 0.383 . . . . 0.0 110.19 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.53 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 4.5 mtp -60.95 -43.52 98.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.382 0.611 . . . . 0.0 109.68 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 83' ' ' VAL . 72.8 t -64.27 -42.98 97.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.062 179.51 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -73.41 -50.2 23.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 111.712 -179.346 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 20.7 mt -55.32 -61.74 2.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.53 -178.874 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 64.74 21.99 12.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -176.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 91' ' ' VAL . 77.8 t -160.03 59.9 1.36 Allowed Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.695 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.49 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.5 Cg_endo -44.06 176.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.489 1.264 0 C-N-CA 121.989 1.792 . . . . 0.0 111.366 -179.578 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -112.41 128.16 56.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.368 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -49.52 -32.92 13.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.979 -178.731 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -73.85 -35.82 64.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.417 179.036 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.5 m -66.05 -52.12 51.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.629 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.38 -44.53 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 21.4 t80 -59.02 -51.35 70.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.176 -179.736 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.2 m -58.08 -43.49 87.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.232 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.51 -50.83 71.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.489 0.661 . . . . 0.0 110.308 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' TYR . 26.2 mm -61.42 -40.93 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.207 179.792 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -50.51 -61.18 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.98 -45.03 91.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.645 -179.011 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.47 -43.48 98.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.3 t80 -53.67 -47.06 70.77 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.647 0.737 . . . . 0.0 109.757 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -60.18 -41.6 93.25 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.924 -179.01 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 t -59.22 -42.79 91.81 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.846 178.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.447 ' CB ' HG23 ' A' ' 114' ' ' VAL . 94.2 mt -62.01 -38.76 89.83 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.97 -46.75 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.462 -178.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -49.74 70.8 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.376 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -58.8 -19.64 42.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.226 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.53 77.81 Favored Glycine 0 N--CA 1.465 0.601 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.656 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.94 -43.35 58.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.422 -0.889 . . . . 0.0 111.185 179.085 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.447 HG23 ' CB ' ' A' ' 108' ' ' LEU . 81.3 t -47.89 -68.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.419 -178.089 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -80.23 117.85 21.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.811 0.338 . . . . 0.0 110.313 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.5 p -86.1 -58.77 2.51 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.261 -179.56 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -98.28 178.5 5.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.129 -179.124 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -148.81 114.21 5.58 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.184 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 54.9 tttp . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.468 -179.723 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -70.86 -55.65 0.14 Allowed 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.247 1.965 . . . . 0.0 110.126 179.35 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.24 -5.86 58.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.45 -179.811 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.89 58.75 3.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -60.5 -44.56 95.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.903 0.383 . . . . 0.0 110.947 -179.674 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 0.98 47.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.664 -179.868 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -63.18 -39.77 95.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.787 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -59.16 -46.91 87.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.322 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.455 HD12 ' CE2' ' A' ' 98' ' ' TYR . 94.1 mt -63.28 -43.71 97.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.77 -47.51 85.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.334 -179.554 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.1 -54.52 46.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.58 1.181 . . . . 0.0 110.144 179.505 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.504 ' O ' ' CE ' ' A' ' 16' ' ' MET . 84.6 t90 -53.33 -61.95 1.97 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 112.638 -2.074 . . . . 0.0 111.344 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 14.1 p -52.58 -43.81 65.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 110.985 179.62 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.605 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 69.0 ttp85 -63.2 -47.4 82.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.977 0.894 . . . . 0.0 110.154 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -54.09 -10.77 0.38 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.138 -179.366 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.2 mpp? -112.98 1.88 15.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.616 -179.415 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 14' ' ' ARG . 16.7 p -95.12 -8.68 35.77 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -64.83 -41.4 95.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 109.692 178.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.41 -36.45 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.026 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 97.0 m-85 -94.29 152.82 18.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.625 -179.541 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' A' ' 23' ' ' VAL . 45.8 mt-10 -118.75 172.89 7.2 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.741 -179.291 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 3.6 t60 60.43 4.63 0.73 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.533 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.503 ' H ' ' C ' ' A' ' 21' ' ' GLU . 74.0 t -123.95 128.19 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.035 -179.802 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 23.8 p-10 -147.15 109.64 4.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.631 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.9 mt -87.29 87.68 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.57 0.7 . . . . 0.0 112.329 -178.174 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -93.64 -23.51 18.24 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.123 178.579 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -142.19 179.6 6.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.042 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.433 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 58.1 m-85 -105.01 -12.16 16.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.007 0.432 . . . . 0.0 110.414 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -106.93 -69.92 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.686 -177.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -61.84 -43.11 99.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.383 -178.717 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.78 1.04 7.52 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.774 -178.495 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.433 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 30.8 m95 -112.84 -3.85 14.09 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.571 -179.386 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -54.22 -41.35 68.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.181 -178.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -63.5 -25.19 68.14 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.63 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 75.48 -9.29 15.35 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 108.686 -1.765 . . . . 0.0 108.686 -177.862 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.503 ' H ' ' C ' ' A' ' 34' ' ' SER . 4.0 mmt -62.83 -20.86 65.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.622 -0.789 . . . . 0.0 110.331 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.91 -48.18 32.64 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.522 -179.698 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.32 -43.42 83.28 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.871 -179.397 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 5.5 m -71.76 -45.8 60.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.955 0.407 . . . . 0.0 111.045 -179.255 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.75 95.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.34 -178.21 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.62 -44.21 91.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.0 mm -65.49 -44.12 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.688 179.501 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.441 ' CG ' ' HH ' ' A' ' 20' ' ' TYR . 39.2 t-80 -59.79 -8.68 2.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 111.478 -178.887 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 44' ' ' LYS . 3.6 tmtt? -75.54 -41.05 55.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.56 0.695 . . . . 0.0 111.142 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -99.97 -15.0 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.88 -177.392 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.48 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.8 m-85 -124.0 97.64 40.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.279 -178.433 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.9 Cg_endo -75.56 -40.55 0.75 Allowed 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.787 1.658 . . . . 0.0 111.815 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.78 -2.69 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.7 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -58.4 -78.19 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.046 -179.491 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.434 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 9.2 p90 -168.61 162.83 12.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.575 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 54' ' ' GLU . 7.8 t0 -84.44 96.44 9.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.727 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.513 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 22.9 t80 -64.94 -20.17 66.33 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.171 -179.329 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.5 -9.71 59.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.59 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 2.0 mm-40 -97.14 -12.56 22.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 -179.267 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.4 -176.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.959 0.409 . . . . 0.0 111.206 -178.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.72 171.97 6.74 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.054 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -75.46 -17.11 18.83 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.087 1.858 . . . . 0.0 110.304 179.035 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.03 -3.82 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.032 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -108.88 36.55 2.83 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.018 -178.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -64.87 -56.67 11.99 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.261 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -51.64 -45.66 63.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.465 0.65 . . . . 0.0 110.182 -178.496 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -66.49 -34.6 78.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.501 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 28.2 t-20 -61.05 -42.71 98.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.621 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 39.9 m-85 -69.07 -53.63 19.34 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.867 179.502 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.402 ' OG1' HG21 ' A' ' 83' ' ' VAL . 14.9 m -56.22 -42.65 77.6 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.384 -0.527 . . . . 0.0 109.725 179.629 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.46 -50.53 73.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.176 -179.373 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.09 -36.36 70.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.986 -178.889 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 43.3 m-85 -81.75 -49.87 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.017 179.73 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.4 m -61.46 -32.59 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.823 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -77.75 -47.71 18.37 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.277 178.434 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.84 77.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.782 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 39.1 tp10 -71.71 -49.51 38.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.626 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -59.06 -41.06 87.04 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.755 -179.002 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 46' ' ' PHE . 97.4 mt -77.65 -48.61 16.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -178.831 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.477 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -121.81 8.0 9.94 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.829 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 30.5 t70 47.24 37.19 5.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.978 179.297 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 84.1 m -48.85 -166.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.122 -0.945 . . . . 0.0 112.498 -179.035 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.8 169.44 15.17 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.267 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -131.7 33.91 3.95 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.021 0.438 . . . . 0.0 110.055 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 7.4 mt -65.32 -22.5 66.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.335 -178.312 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -110.53 147.63 33.76 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.227 0.537 . . . . 0.0 112.217 -178.42 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -116.42 140.71 49.05 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.474 179.093 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.402 HG21 ' OG1' ' A' ' 65' ' ' THR . 77.2 t -57.94 -51.96 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.393 -178.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -55.09 -45.39 75.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.009 -178.489 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -57.74 -46.22 84.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.206 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.621 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 3.2 mtm -61.21 -45.76 93.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.409 0.623 . . . . 0.0 110.141 178.595 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.75 -42.01 91.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.635 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HG3' HH11 ' A' ' 88' ' ' ARG . 40.0 ttm-85 -73.66 -50.26 21.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.732 0.301 . . . . 0.0 111.621 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.3 mt -68.0 -48.18 66.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.193 0.52 . . . . 0.0 110.007 -178.504 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 56.21 31.51 18.54 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -177.376 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 91' ' ' VAL . 79.5 t -161.84 62.39 1.42 Allowed Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.749 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.469 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.7 Cg_endo -45.18 177.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.951 1.767 . . . . 0.0 111.172 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -113.24 128.98 56.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.247 179.425 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.0 p -49.05 -34.2 13.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.056 -178.778 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -73.63 -35.37 65.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 179.084 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.1 m -65.99 -51.05 61.88 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.648 -179.057 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.87 -44.54 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.603 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.3 t80 -59.09 -51.58 69.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.168 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.1 m -57.97 -44.95 87.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.241 -179.595 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.08 -50.06 73.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.327 0.584 . . . . 0.0 110.185 179.41 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.4 mm -59.95 -40.24 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.99 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -50.87 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.72 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -57.07 -45.77 83.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.62 -179.049 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.6 tp -59.29 -46.06 89.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.888 -179.587 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -52.87 -48.31 67.21 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.724 -179.287 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.9 -39.22 84.63 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.428 -178.768 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 t -61.14 -41.32 96.53 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.918 178.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.0 mt -67.04 -36.49 82.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.068 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.04 -49.48 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.674 -178.068 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.57 -47.07 77.04 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.178 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -56.39 -30.25 62.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.115 -179.664 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.26 19.29 55.64 Favored Glycine 0 N--CA 1.463 0.499 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.077 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.7 mt -77.15 -36.14 55.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.451 -0.875 . . . . 0.0 110.846 179.223 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.74 -36.17 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.24 -179.034 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -107.74 95.47 5.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.002 0.429 . . . . 0.0 110.335 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.85 -49.55 3.62 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.275 -179.648 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -141.7 137.5 31.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.019 0.438 . . . . 0.0 110.914 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -71.22 134.75 47.11 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.79 178.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.416 -179.589 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.55 ' C ' ' H ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -72.12 22.88 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.339 2.026 . . . . 0.0 110.402 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.55 ' H ' ' C ' ' A' ' 1' ' ' GLY . 46.7 mt -50.17 -34.01 21.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.878 -178.744 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' MET . . . 51.61 -84.9 0.01 OUTLIER Glycine 0 N--CA 1.464 0.538 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' LEU . 94.7 p -43.75 -65.99 0.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.01 0.433 . . . . 0.0 110.743 -179.352 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' N ' ' OG ' ' A' ' 5' ' ' SER . 24.7 ttmt -47.82 -49.74 28.18 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.291 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.35 -40.71 96.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.031 179.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' GLY . 14.5 tpt -58.45 -45.56 88.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.384 -179.758 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.434 HD12 ' CE2' ' A' ' 98' ' ' TYR . 89.0 mt -65.17 -43.16 92.6 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.555 179.676 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.39 -48.56 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.649 -179.357 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -55.39 -50.85 68.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.519 1.152 . . . . 0.0 109.961 179.668 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.476 ' O ' ' CE ' ' A' ' 16' ' ' MET . 89.0 t90 -60.45 -58.28 9.15 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 112.499 -2.137 . . . . 0.0 110.968 -179.704 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.54 -45.95 66.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.083 0.468 . . . . 0.0 110.746 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -61.46 -48.72 79.86 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' SD ' ' A' ' 16' ' ' MET . . . -50.57 -23.34 2.48 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.144 -179.624 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.1 mpp? -107.92 -1.93 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.569 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.554 ' OG1' HD12 ' A' ' 25' ' ' ILE . 24.7 m -88.57 -11.74 44.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.33 -179.698 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.84 -24.03 63.39 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.513 0.673 . . . . 0.0 109.847 179.271 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -67.88 -39.37 83.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.473 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -105.65 100.34 9.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.117 -178.83 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 23' ' ' VAL . 15.7 pt-20 -67.99 -173.02 0.33 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.619 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.0 OUTLIER 60.72 0.1 0.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.534 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.586 ' H ' ' C ' ' A' ' 21' ' ' GLU . 80.3 t -126.09 131.48 71.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.341 -179.519 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 40.2 p-10 -141.87 109.57 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.818 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.554 HD12 ' OG1' ' A' ' 17' ' ' THR . 90.3 mt -83.52 92.94 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.723 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -98.03 -23.6 15.7 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.702 -1.136 . . . . 0.0 108.825 178.222 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -148.68 -177.91 6.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.197 178.803 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -103.37 -7.11 21.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.03 0.443 . . . . 0.0 110.262 -179.435 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -105.8 -69.41 0.82 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.2 p -59.93 -44.14 94.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.662 -178.181 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.6 m -72.33 3.81 4.34 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.327 -178.675 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -115.79 -7.22 12.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.602 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.2 p -55.84 -34.43 65.41 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.491 -178.803 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 36' ' ' MET . 2.4 t -68.97 -24.6 64.26 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.762 -179.292 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 80.29 -11.05 39.43 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -178.013 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.437 ' H ' ' C ' ' A' ' 34' ' ' SER . 47.3 mmm -63.1 -29.78 71.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.246 179.351 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.33 62.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.543 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.38 -45.95 83.94 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.063 -179.109 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 4.1 m -67.25 -45.28 77.17 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.191 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.72 99.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.143 -178.451 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.21 -45.75 93.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.96 0.409 . . . . 0.0 110.434 -179.046 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mm -65.51 -43.29 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.5 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -55.78 -16.42 4.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.008 0.432 . . . . 0.0 111.265 -178.467 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -71.68 -41.24 68.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.155 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.413 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 3.9 m-85 -97.71 -15.02 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.989 -177.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.505 ' CD1' HD13 ' A' ' 74' ' ' LEU . 59.9 m-85 -131.17 92.99 31.35 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.299 -178.888 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -76.19 -42.98 0.33 Allowed 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.959 1.772 . . . . 0.0 111.977 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -60.82 -14.15 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.33 -68.18 0.2 Allowed 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.903 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -169.61 164.54 10.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.656 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -84.34 97.2 9.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.48 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -61.56 -23.53 66.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 120.872 0.367 . . . . 0.0 111.124 -178.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.57 -18.46 51.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.768 -179.609 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -83.99 -20.17 33.28 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.8 -172.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.238 -179.094 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -155.79 136.83 9.19 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.097 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -55.43 -25.28 47.67 Favored 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 121.952 1.768 . . . . 0.0 109.768 -179.142 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.39 89.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.373 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.05 57.83 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.471 -179.392 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -71.64 -44.7 63.89 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -52.41 -47.88 66.05 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.324 0.583 . . . . 0.0 110.181 -178.693 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -67.55 -34.33 76.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.503 179.349 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.527 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 19.2 t-20 -61.29 -43.62 98.57 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.466 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.459 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 41.5 m-85 -66.93 -56.2 11.28 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.7 179.318 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.9 m -51.57 -42.51 61.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 70' ' ' THR . 60.5 tp -59.83 -50.09 75.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.191 -179.498 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.74 -39.47 80.99 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.196 -178.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -76.44 -46.88 25.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.125 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.0 m -65.79 -27.86 68.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.765 -179.748 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 20.4 m -77.24 -51.32 11.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.189 178.451 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.09 77.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.857 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' ASP . 43.7 tp10 -71.15 -49.73 40.84 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.081 0.467 . . . . 0.0 110.627 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.36 -40.99 92.74 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.619 -178.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 46' ' ' PHE . 96.2 mt -82.98 -43.67 16.14 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -178.784 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.22 2.92 10.9 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -177.59 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.3 t70 49.34 36.98 10.61 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.747 179.444 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.6 t -49.2 -166.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.645 -178.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.7 172.25 9.39 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.194 179.543 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -127.89 36.2 4.37 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.75 -24.77 67.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.43 -178.246 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mt -114.97 142.65 46.34 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.243 0.544 . . . . 0.0 112.232 -178.47 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -112.75 132.49 55.2 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.245 178.698 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 87' ' ' VAL . 69.6 t -47.19 -53.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.601 -179.389 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -54.92 -46.26 74.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.287 -178.403 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.4 -44.62 95.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.9 0.381 . . . . 0.0 110.153 -179.508 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.459 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 12.6 mtp -61.66 -44.29 97.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.468 0.651 . . . . 0.0 110.079 179.131 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 83' ' ' VAL . 72.1 t -65.11 -44.54 95.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.241 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -70.84 -47.18 60.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.776 -179.27 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.51 -50.29 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.451 . . . . 0.0 110.603 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.73 28.28 17.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.23 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 90' ' ' ALA . 56.1 t -164.06 88.96 1.13 Allowed Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 113.748 -1.569 . . . . 0.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.15 -174.9 1.51 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.937 1.758 . . . . 0.0 111.429 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -121.15 130.47 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.382 179.356 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.6 p -48.88 -31.82 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.928 -178.81 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -73.29 -37.07 66.36 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.443 178.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.7 m -66.78 -52.36 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.774 -179.209 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.53 -44.09 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.8 t80 -59.2 -51.62 69.19 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.151 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.442 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 19.0 m -58.23 -43.86 87.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.25 -179.437 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -61.96 -50.61 71.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.455 0.645 . . . . 0.0 110.342 179.549 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.4 mm -59.88 -39.89 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.069 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -50.11 -63.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' OE1' ' O ' ' A' ' 99' ' ' THR . 2.5 mp0 -55.76 -44.16 77.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.598 0.713 . . . . 0.0 109.843 -178.78 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.87 -42.17 97.58 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.114 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.5 t80 -55.64 -53.0 61.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.159 -177.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -63.44 -33.55 75.8 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.289 -178.319 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.1 m -61.38 -37.5 83.63 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.582 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.11 -41.11 74.43 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.171 0.51 . . . . 0.0 110.926 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.92 -48.11 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -177.554 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.29 -40.86 98.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -62.58 -29.35 70.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.226 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.74 14.93 51.48 Favored Glycine 0 N--CA 1.465 0.588 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.097 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.93 -46.4 44.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.432 -0.884 . . . . 0.0 111.08 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.7 t -85.4 -36.81 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.172 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -95.34 103.69 15.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.838 0.352 . . . . 0.0 110.24 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 p -104.21 -14.36 15.86 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.406 -179.463 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -73.37 -77.12 0.11 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.351 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -77.71 169.62 17.97 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.391 -179.696 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -71.85 107.18 2.15 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.23 1.953 . . . . 0.0 110.523 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt -93.55 3.31 55.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.429 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.96 91.1 0.11 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 m -73.32 -66.2 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.407 . . . . 0.0 110.642 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -49.18 -24.77 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.561 -179.806 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -64.06 -38.76 92.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.938 179.514 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.4 tmt? -60.14 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.497 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 ' CE2' ' A' ' 98' ' ' TYR . 87.8 mt -63.61 -43.62 96.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.571 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.21 -47.35 86.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.42 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.77 -52.31 66.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.461 1.124 . . . . 0.0 109.91 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -54.63 -59.8 4.21 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 112.824 -1.989 . . . . 0.0 111.202 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -54.48 -45.65 73.25 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.087 0.47 . . . . 0.0 110.431 179.523 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -61.22 -50.44 73.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.664 179.651 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.77 -22.93 39.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.384 -179.092 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.6 mpp? -106.19 0.49 25.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.663 -179.354 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.525 ' O ' HG22 ' A' ' 17' ' ' THR . 73.9 m -109.39 -4.05 16.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.054 -179.785 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 20' ' ' TYR . 74.5 mtp85 -64.79 -55.48 19.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.521 0.677 . . . . 0.0 109.808 179.02 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -41.2 -24.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.017 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.532 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 24.5 m-85 -93.23 154.41 18.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.432 179.804 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.7 pm0 -121.26 174.1 6.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 -179.275 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.3 t60 61.11 0.99 0.44 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.407 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.547 ' H ' ' C ' ' A' ' 21' ' ' GLU . 75.9 t -124.14 130.62 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.823 -179.692 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 1.0 OUTLIER -145.81 108.71 4.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.64 179.571 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.7 mt -85.97 92.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.495 0.664 . . . . 0.0 112.492 -178.153 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -97.33 -23.17 16.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.065 178.728 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -144.92 180.0 6.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.228 178.875 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.429 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 63.2 m-85 -104.0 -9.3 18.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.101 0.477 . . . . 0.0 110.392 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -108.21 -69.1 0.87 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.709 -177.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.8 t -61.27 -44.19 97.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.281 -178.742 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.05 0.88 6.58 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.696 -178.77 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.429 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.5 m95 -113.98 -4.81 13.19 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.649 -179.117 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -61.1 -4.04 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.515 -178.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.466 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.4 m -95.34 -27.21 15.57 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.6 0.238 . . . . 0.0 111.608 -179.368 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 80.29 -15.28 18.24 Favored Glycine 0 N--CA 1.459 0.174 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 -178.127 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.466 ' H ' ' C ' ' A' ' 34' ' ' SER . 42.7 mmm -61.85 -26.39 68.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.67 -0.765 . . . . 0.0 110.319 179.87 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.21 45.0 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.923 -179.141 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.17 -46.71 82.55 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.231 -178.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 27.8 p -68.62 -43.47 76.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.796 -179.841 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.429 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.1 -42.77 99.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.218 -178.845 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.36 -43.78 98.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.031 0.443 . . . . 0.0 110.607 -178.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 42' ' ' ILE . 28.0 mm -64.58 -42.25 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 179.154 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.532 ' HD1' ' HH ' ' A' ' 20' ' ' TYR . 52.4 t-80 -56.12 -40.53 73.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 -179.018 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -51.1 -40.22 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.524 0.678 . . . . 0.0 110.745 -178.629 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.0 -45.55 19.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.637 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.55 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 15.8 m-85 -114.82 79.54 5.94 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.312 -177.888 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -47.24 -34.72 18.74 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.727 1.618 . . . . 0.0 111.64 -179.37 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -64.31 -16.7 62.68 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.207 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -34.25 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.156 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 2.7 p90 -170.16 166.01 9.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.858 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 43.5 t0 -79.64 95.53 5.94 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.782 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -67.27 -23.44 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.142 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.58 -11.96 59.95 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.73 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -92.61 -13.21 29.92 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.615 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.38 146.57 31.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.01 0.433 . . . . 0.0 110.955 -178.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' ALA . 19.9 m-20 -122.18 143.17 38.44 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.222 -179.578 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.36 -9.12 0.47 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.026 1.817 . . . . 0.0 110.013 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -86.79 -8.85 56.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.978 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -114.66 44.99 1.64 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.953 -178.656 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -64.91 -44.41 89.66 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.551 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -48.66 -54.84 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.222 0.534 . . . . 0.0 110.396 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 66' ' ' LEU . 88.4 m-70 -63.43 -33.24 75.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.637 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.463 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 13.6 t-20 -58.39 -45.57 88.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.151 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.448 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 59.0 m-85 -67.24 -56.8 8.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.367 179.633 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 m -52.95 -43.73 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.129 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 61.9 tp -61.7 -50.05 74.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.2 -179.659 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.02 80.65 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.938 -179.185 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -78.28 -45.92 21.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -63.09 -31.73 72.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -76.06 -48.22 21.67 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.409 178.659 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.12 -34.88 79.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.799 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 76' ' ' ASP . 43.0 tt0 -69.48 -50.1 48.49 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.625 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.48 -40.21 90.47 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.749 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.472 HD13 ' CG ' ' A' ' 46' ' ' PHE . 96.7 mt -79.26 -46.22 18.22 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.759 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.42 7.83 8.37 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.862 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 72' ' ' GLU . 71.6 m-20 49.4 40.51 18.87 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.953 179.362 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.9 t -44.55 -172.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.665 -178.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.63 172.27 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.443 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -124.13 38.73 4.13 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.6 mt -68.5 -28.63 67.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.644 -178.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mt -117.67 142.21 47.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.235 0.54 . . . . 0.0 112.332 -178.173 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.488 ' N ' ' OD2' ' A' ' 85' ' ' ASP . 81.7 mt-10 -110.48 141.79 43.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.29 179.057 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.34 -51.91 58.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.358 -178.753 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.24 -46.19 72.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.428 -178.742 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -64.5 -43.55 93.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.1 0.476 . . . . 0.0 110.405 -179.879 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.464 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 5.2 mtp -62.37 -44.57 96.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.577 0.703 . . . . 0.0 109.279 -179.506 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -69.85 -42.03 79.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.913 179.249 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -70.83 -47.0 61.75 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.742 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.93 -50.78 63.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.072 0.463 . . . . 0.0 110.286 -179.484 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 61.89 24.51 14.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -177.469 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 90' ' ' ALA . 54.2 t -162.36 89.32 1.38 Allowed Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.501 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.33 -175.34 1.95 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.909 1.739 . . . . 0.0 111.239 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -117.32 129.55 55.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.182 179.461 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 m -49.38 -33.58 14.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.967 -178.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -73.66 -36.22 65.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.563 179.003 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.7 m -66.01 -50.16 65.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.988 0.423 . . . . 0.0 110.691 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.27 -44.9 99.66 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.1 t80 -58.16 -50.63 72.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.121 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.9 m -58.37 -42.77 87.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.986 -179.555 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -62.41 -50.34 71.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.308 0.575 . . . . 0.0 110.133 179.435 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.439 ' CG2' HD22 ' A' ' 9' ' ' LEU . 26.7 mm -61.02 -41.36 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.966 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -49.92 -62.78 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.879 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.47 -45.74 88.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.884 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.7 tp -59.59 -45.69 91.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -53.28 -48.09 68.61 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.572 0.701 . . . . 0.0 109.659 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -60.24 -38.13 82.49 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.13 -178.498 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.8 t -60.82 -40.78 94.04 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.854 178.794 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.28 -37.82 81.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.15 179.518 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.35 -48.64 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.968 -178.146 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -64.94 -42.01 95.02 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.311 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -64.53 -19.13 65.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.141 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.98 77.38 Favored Glycine 0 N--CA 1.463 0.456 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.463 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.2 mt -72.93 -45.58 57.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.838 -0.681 . . . . 0.0 110.982 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.25 -29.1 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.104 -178.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -104.85 103.92 13.6 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.209 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 m -75.48 -56.24 4.9 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.556 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -144.6 141.94 29.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.092 -179.659 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 119' ' ' LYS . 62.4 pttt -89.61 137.62 32.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.247 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 118' ' ' LYS . 17.0 pttp . . . . . 0 N--CA 1.466 0.369 0 CA-C-O 117.831 -1.08 . . . . 0.0 111.169 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -55.27 -34.48 88.51 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.026 1.817 . . . . 0.0 109.881 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.7 mt -80.95 -59.16 2.77 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.35 126.55 0.97 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m -61.43 -60.67 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.014 0.435 . . . . 0.0 110.534 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -45.52 -41.78 10.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.595 -179.584 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -65.0 -41.63 95.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.038 0.447 . . . . 0.0 110.126 179.658 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 tpt -59.79 -49.3 78.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 98' ' ' TYR . 95.8 mt -64.97 -45.06 87.27 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.365 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.58 -47.5 85.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.696 -179.296 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.04 -51.03 70.9 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 122.644 1.212 . . . . 0.0 109.939 179.624 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -60.75 -62.61 1.73 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 112.386 -2.188 . . . . 0.0 111.543 -179.729 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.511 ' SG ' HD22 ' A' ' 41' ' ' LEU . 2.0 t -51.55 -45.11 62.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.139 0.495 . . . . 0.0 111.335 179.558 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -58.79 -44.66 90.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.1 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.9 -32.59 46.02 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.466 -179.356 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.1 mmt -88.39 -3.72 58.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.823 -179.536 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.46 ' OG1' HD12 ' A' ' 25' ' ' ILE . 96.2 m -89.2 -13.66 37.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.501 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -65.79 -39.64 91.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.62 0.724 . . . . 0.0 109.675 179.228 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -64.67 -37.57 88.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.376 -1.283 . . . . 0.0 110.222 179.774 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' OH ' ' C ' ' A' ' 43' ' ' HIS . 72.4 m-85 -91.54 152.12 20.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.935 -179.424 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.7 pm0 -119.78 172.08 7.95 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.557 -179.576 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.636 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 38.1 t-80 62.38 3.93 1.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.301 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.49 ' H ' ' C ' ' A' ' 21' ' ' GLU . 69.3 t -126.95 127.81 70.13 Favored 'Isoleucine or valine' 0 C--O 1.23 0.066 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.743 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.88 111.57 6.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.853 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.46 HD12 ' OG1' ' A' ' 17' ' ' THR . 89.2 mt -87.79 84.33 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 112.25 -178.119 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -92.57 -25.19 18.46 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.059 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -143.44 -176.07 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.294 178.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.441 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 64.7 m-85 -108.17 -13.26 14.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.201 0.524 . . . . 0.0 110.456 -179.753 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.4 t -105.87 -71.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.922 -178.344 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.1 t -61.71 -44.45 96.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.303 -178.78 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.1 m -69.55 1.84 3.7 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.033 -178.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.441 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.2 m95 -114.32 -3.1 13.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.695 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -54.72 -32.97 60.41 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.324 -179.171 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.553 ' C ' ' H ' ' A' ' 36' ' ' MET . 78.3 p -67.3 -24.94 65.81 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.538 -179.241 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.48 -12.41 5.88 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 -178.308 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.553 ' H ' ' C ' ' A' ' 34' ' ' SER . 69.8 mtp -65.9 -16.65 64.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.563 -0.818 . . . . 0.0 110.359 179.644 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.3 -49.34 35.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -56.79 -44.08 81.55 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.012 -178.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 91.3 m -70.02 -45.17 67.79 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.243 -179.696 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.1 95.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.657 -178.568 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 45' ' ' PHE . 46.1 tp -66.58 -43.03 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.967 0.413 . . . . 0.0 110.976 -179.006 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.487 ' C ' ' H ' ' A' ' 44' ' ' LYS . 30.4 mm -68.37 -45.67 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.933 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 28.1 t-80 -59.36 -1.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.267 -178.575 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 42' ' ' ILE . 13.4 tmtt? -83.95 -36.53 23.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.633 -179.078 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -99.13 -17.15 18.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.681 -178.142 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CD1' HD13 ' A' ' 74' ' ' LEU . 82.1 m-85 -123.14 99.13 41.03 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.486 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.6 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -75.14 -40.37 0.89 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.814 1.676 . . . . 0.0 111.867 -179.743 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.25 14.68 0.21 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.6 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -77.13 -77.53 0.14 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.752 -179.382 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 27.0 p90 -166.95 160.54 14.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.671 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -84.43 97.15 9.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.711 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -61.55 -22.22 64.97 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.05 -179.342 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.67 -15.89 55.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.568 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -86.93 -20.38 27.43 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.56 -179.649 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.81 150.7 32.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.055 0.455 . . . . 0.0 110.849 -179.141 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.83 146.25 37.36 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.395 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -50.86 -23.5 11.86 Favored 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 122.057 1.838 . . . . 0.0 109.952 -179.498 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.61 94.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.447 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -82.51 68.98 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.503 -179.338 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.548 ' O ' ' ND2' ' A' ' 63' ' ' ASN . 14.5 ptm180 -84.7 -47.06 10.84 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 67.6 mtm180 -51.48 -45.61 62.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.302 0.572 . . . . 0.0 110.147 -178.337 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -64.19 -35.37 80.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -60.77 -45.17 95.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.166 0.507 . . . . 0.0 111.167 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD2' ' ND2' ' A' ' 63' ' ' ASN . 53.3 m-85 -65.7 -53.58 38.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.607 -179.518 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.495 ' OG1' HG21 ' A' ' 83' ' ' VAL . 19.4 m -57.85 -45.04 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.698 179.702 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.58 -48.07 82.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.255 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.7 79.84 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.956 -0.697 . . . . 0.0 110.055 -179.18 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 25.7 m-85 -80.91 -48.45 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.965 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 m -60.95 -29.46 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.64 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.7 m -77.82 -47.23 19.38 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.086 178.591 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -63.25 -33.95 76.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' ASP . 93.4 mt-10 -70.42 -50.47 38.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.212 0.53 . . . . 0.0 110.812 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -62.02 -40.35 95.41 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.848 -179.006 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 46' ' ' PHE . 97.1 mt -85.44 -37.98 19.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.727 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -122.59 -0.93 9.1 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -177.638 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' GLU . 57.3 t0 47.54 36.91 5.73 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.815 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.9 t -50.32 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.724 -178.817 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 103' ' ' GLU . . . -86.51 172.85 10.0 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.165 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -126.98 70.8 1.29 Allowed 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -101.07 -25.7 13.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.57 -178.721 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -110.35 140.57 44.41 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.171 0.51 . . . . 0.0 111.896 -178.771 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -115.82 126.17 53.64 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.02 179.047 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.495 HG21 ' OG1' ' A' ' 65' ' ' THR . 93.3 t -45.16 -53.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.531 -179.027 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.83 -46.42 71.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.304 -178.469 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -64.68 -42.83 95.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.939 0.4 . . . . 0.0 110.042 -179.623 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.482 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 4.6 mtp -62.09 -45.27 94.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.574 0.702 . . . . 0.0 109.8 179.113 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 83' ' ' VAL . 77.8 t -66.05 -43.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.851 179.324 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -70.26 -47.41 61.41 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.764 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.71 -49.05 67.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.042 0.449 . . . . 0.0 110.422 -179.546 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.23 30.19 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -177.224 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 90' ' ' ALA . 53.6 t -164.78 92.88 0.95 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 113.861 -1.518 . . . . 0.0 109.437 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -73.52 -177.69 3.23 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 C-N-CA 121.994 1.796 . . . . 0.0 111.385 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -119.3 130.25 55.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.219 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 p -48.53 -32.99 8.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.006 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -74.03 -36.34 64.42 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.66 178.873 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.7 m -66.17 -53.53 36.4 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -178.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.93 -44.11 97.3 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.9 t80 -58.33 -50.85 72.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.942 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.7 m -58.57 -42.69 88.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.128 -179.581 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -61.3 -51.64 68.02 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.485 0.66 . . . . 0.0 110.4 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.4 mm -60.35 -40.1 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.156 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -51.36 -60.71 2.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.729 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 78' ' ' ALA . 65.3 mt-10 -59.11 -46.03 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.554 -179.262 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 tp -59.45 -46.53 88.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.633 -179.483 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -52.74 -47.42 67.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.507 0.67 . . . . 0.0 109.663 -179.677 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.16 -41.86 97.52 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.955 -178.505 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.0 p -59.49 -38.75 81.69 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.899 179.145 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 114' ' ' VAL . 96.8 mt -63.76 -39.92 95.45 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.834 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.13 -46.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.429 -178.68 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.8 -51.5 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.413 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.68 -25.03 59.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.201 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.89 21.14 63.96 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.294 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.9 mt -72.01 -44.19 63.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.393 -0.904 . . . . 0.0 111.031 179.124 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' A' ' 108' ' ' LEU . 2.4 t -65.86 -29.96 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.177 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -92.04 54.2 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.002 0.429 . . . . 0.0 110.217 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.9 m -95.24 -38.27 10.63 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.618 -179.529 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -144.97 157.95 43.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.618 -179.504 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -75.47 158.64 32.33 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.134 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.364 -179.548 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.8 OUTLIER -61.64 -48.53 80.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.257 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.436 HD12 ' CE2' ' A' ' 98' ' ' TYR . 90.9 mt -66.35 -42.55 87.94 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.89 -48.14 81.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.651 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.85 -47.89 79.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.563 1.173 . . . . 0.0 109.886 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -63.68 -61.58 2.22 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 112.426 -2.17 . . . . 0.0 111.201 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 m -51.53 -44.52 62.65 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.008 0.432 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -60.72 -45.67 93.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.228 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.77 -27.54 3.04 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.109 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.4 mmt -91.3 -15.58 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.382 . . . . 0.0 110.656 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' TYR . 71.2 m -75.69 -17.87 59.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.462 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.94 -37.67 84.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.618 0.723 . . . . 0.0 109.807 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -64.54 -38.52 91.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.363 -1.289 . . . . 0.0 110.207 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.485 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 65.0 m-85 -99.53 161.94 13.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.851 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.8 mp0 -123.29 178.25 5.22 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.755 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.615 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 47.7 t-80 62.47 4.4 1.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 21' ' ' GLU . 94.6 t -123.67 128.33 74.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.759 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 40.5 p-10 -137.08 106.02 5.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.742 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.6 mt -87.87 80.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.567 0.699 . . . . 0.0 112.308 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.503 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 87.8 mt-30 -104.32 -0.58 28.05 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.232 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 26' ' ' GLN . 33.4 m120 -162.32 173.76 13.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.292 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -105.57 -12.63 15.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.97 0.414 . . . . 0.0 110.37 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -106.45 -71.39 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.755 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.2 m -60.96 -44.53 97.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.149 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -68.32 0.77 3.5 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.822 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -114.65 -3.61 12.86 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.682 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -56.73 -19.16 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.469 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.535 ' C ' ' H ' ' A' ' 36' ' ' MET . 6.5 m -82.09 -22.71 36.15 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.584 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 74.71 -12.48 6.09 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.604 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 94.2 mtp -65.0 -20.04 66.3 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.675 -0.763 . . . . 0.0 110.079 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.4 -48.84 47.31 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.639 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -57.05 -41.99 79.72 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.015 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 21.1 p -71.25 -45.0 64.2 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.06 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.565 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.51 -42.96 99.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.526 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.19 -43.49 98.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 110.659 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.8 mm -67.63 -43.47 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.408 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 34.5 t-80 -56.66 -14.3 3.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.996 0.427 . . . . 0.0 111.341 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -71.45 -39.74 70.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.858 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.88 -14.83 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.912 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -127.02 99.28 28.94 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.293 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -75.65 -36.74 2.03 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.959 1.773 . . . . 0.0 111.737 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -66.91 -16.69 64.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.8 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.124 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 6.7 p90 -168.82 162.99 11.71 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.711 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -80.64 97.62 7.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.58 -25.48 67.35 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.884 0.373 . . . . 0.0 111.056 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.88 -12.84 60.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.751 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -94.54 -10.67 31.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.654 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.56 154.01 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.088 0.471 . . . . 0.0 110.965 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -131.22 165.0 38.44 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.113 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -76.86 -1.27 11.4 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.351 2.034 . . . . 0.0 109.977 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.18 -44.05 60.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.289 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 19.4 ptmt -97.46 63.58 1.79 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.726 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -65.07 -42.21 94.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -52.72 -47.96 66.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.699 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -66.65 -35.86 81.17 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 16.4 t-20 -60.7 -42.08 96.47 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.542 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.531 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.8 m-85 -68.89 -53.84 18.9 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.687 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.1 m -56.64 -43.27 80.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 70' ' ' THR . 65.4 tp -61.88 -49.48 76.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.61 -39.41 80.36 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.899 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 41.7 m-85 -79.81 -49.43 12.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.249 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 m -61.09 -30.39 70.32 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 24.0 m -75.78 -50.47 15.11 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.295 178.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.17 72.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' ASP . 74.6 tt0 -70.04 -51.89 28.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.112 0.482 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.56 -38.93 91.98 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.988 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.38 -38.92 19.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.43 1.26 8.34 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 72' ' ' GLU . 59.7 t0 48.34 37.24 8.24 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.839 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 76' ' ' ASP . 18.6 p -47.06 -167.87 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.546 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.42 172.86 9.07 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.306 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -124.37 40.87 3.63 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.987 0.422 . . . . 0.0 109.872 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.28 -28.8 64.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.662 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.8 mt -112.05 143.15 43.54 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 121.198 0.523 . . . . 0.0 112.26 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -113.8 131.06 56.37 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.144 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 87' ' ' VAL . 77.7 t -49.23 -53.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.719 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -54.54 -45.04 73.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.305 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -62.01 -44.44 96.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.93 0.395 . . . . 0.0 110.212 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.531 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 9.2 mtp -60.89 -43.56 98.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.083 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' VAL . 71.3 t -63.63 -44.69 98.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.109 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -71.77 -48.62 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.565 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.86 -51.66 63.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.037 0.446 . . . . 0.0 110.5 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.13 28.84 18.25 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 90' ' ' ALA . 55.8 t -163.51 92.64 1.12 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 113.788 -1.551 . . . . 0.0 109.423 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.03 -178.49 3.58 Favored 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 121.939 1.76 . . . . 0.0 111.39 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -117.95 131.23 56.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.458 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.3 m -48.45 -33.72 9.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.946 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -74.18 -34.64 63.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.429 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.9 m -67.78 -52.92 31.49 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.068 0.461 . . . . 0.0 110.745 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.26 -44.17 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 19.6 t80 -60.89 -50.92 71.47 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.097 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.43 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 86.5 m -59.66 -42.93 93.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.694 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -61.13 -50.88 71.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.505 0.669 . . . . 0.0 110.028 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.4 mm -59.85 -38.04 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.119 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -53.6 -57.32 11.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' A' ' 99' ' ' THR . 1.6 mp0 -60.34 -46.18 90.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.588 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.5 tp -60.38 -44.69 95.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.638 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -53.24 -48.53 68.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.573 0.701 . . . . 0.0 109.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.65 -44.45 93.54 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.106 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.7 t -57.41 -40.83 79.12 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.836 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.02 -39.45 94.8 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.72 -47.14 94.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.436 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.67 -52.83 58.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -53.99 -26.13 24.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.215 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.36 20.39 64.52 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 mt -72.31 -45.03 61.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.48 -0.86 . . . . 0.0 111.101 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 CA--C 1.532 0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.242 -179.277 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 121.126 0.488 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 tpt -60.64 -46.46 90.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.284 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.444 HD12 ' CE2' ' A' ' 98' ' ' TYR . 88.4 mt -62.45 -43.58 98.48 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.353 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.67 -48.03 82.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.812 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -58.74 -52.37 65.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.661 1.22 . . . . 0.0 110.233 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -58.16 -63.75 1.16 Allowed 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 112.212 -2.267 . . . . 0.0 111.435 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.46 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.8 t -51.86 -50.08 61.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.122 0.487 . . . . 0.0 111.067 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -54.9 -44.58 74.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.36 -31.25 61.6 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.777 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.0 -29.07 14.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.169 -178.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -81.98 -12.41 58.36 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.709 0.63 . . . . 0.0 111.15 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -62.15 -61.19 2.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.708 0.766 . . . . 0.0 109.064 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -47.37 -23.48 0.59 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.883 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -90.99 103.38 16.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.663 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.568 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -68.02 174.39 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.612 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 17.0 t-80 63.5 -1.59 0.57 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.925 0.869 . . . . 0.0 108.719 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 21' ' ' GLU . 67.1 t -128.74 129.46 68.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.198 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' O ' ' OG ' ' A' ' 31' ' ' SER . 67.7 t0 -152.28 110.95 3.78 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.565 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.83 105.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.629 0.728 . . . . 0.0 112.96 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.4 ' H ' ' CB ' ' A' ' 31' ' ' SER . 62.2 tt0 -105.77 -11.08 16.4 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.493 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 11.5 t-20 -172.76 -173.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.32 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.502 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 50.6 m-85 -103.68 -13.2 16.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.063 0.459 . . . . 0.0 110.379 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -105.99 -71.15 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.806 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -59.94 -43.81 94.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.484 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 7.2 t -71.91 0.07 10.13 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.103 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.419 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 33.3 m95 -112.26 -6.2 14.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.817 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.8 m -63.74 0.02 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.31 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.9 m -96.37 -25.86 15.57 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.599 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.517 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 79.24 -14.8 13.77 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 108.922 -1.671 . . . . 0.0 108.922 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.478 ' H ' ' C ' ' A' ' 34' ' ' SER . 63.1 mmm -61.95 -28.98 69.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.538 -0.831 . . . . 0.0 110.071 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.44 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.684 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -56.98 -47.13 81.5 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.273 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 88.3 m -67.6 -44.81 77.17 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.55 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.761 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.5 tp -65.0 -42.12 94.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.05 0.452 . . . . 0.0 110.878 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.88 -44.36 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.588 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 34.9 t-80 -57.5 -14.33 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.977 0.418 . . . . 0.0 111.246 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -70.31 -39.99 74.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.507 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -102.81 -12.27 17.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.766 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 74' ' ' LEU . 97.0 m-85 -128.73 94.75 33.99 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.296 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.93 -36.69 2.46 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.809 1.672 . . . . 0.0 111.528 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.77 -14.2 60.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.36 -75.82 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.16 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.422 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 7.9 p90 -168.48 162.8 12.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.607 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -84.21 96.98 9.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 38.6 t80 -60.13 -21.29 61.4 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.93 -16.74 52.69 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.647 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -90.38 -17.51 27.14 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.608 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -80.07 152.15 29.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 111.266 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 1.9 p30 -122.56 162.64 37.17 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.333 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.27 -13.32 20.91 Favored 'Trans proline' 0 N--CA 1.49 1.275 0 C-N-CA 122.189 1.926 . . . . 0.0 110.01 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.47 77.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.342 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -92.25 56.16 2.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.329 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 20.3 ptp180 -67.62 -43.03 81.4 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 83.2 mtp180 -51.52 -46.67 63.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.262 0.553 . . . . 0.0 110.276 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -67.67 -33.33 74.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.598 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 23.9 t30 -61.31 -42.69 99.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.184 0.516 . . . . 0.0 110.56 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.49 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 47.3 m-85 -68.89 -52.54 28.49 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.652 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.0 m -55.2 -43.31 74.29 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.47 -47.42 86.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.902 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.47 -39.0 82.27 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.972 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -80.7 -49.65 10.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.974 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.2 p -62.4 -30.79 71.46 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.6 m -78.08 -46.92 19.49 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.424 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.04 79.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 33.4 tp10 -70.52 -49.63 46.27 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.739 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -60.63 -39.83 89.69 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.476 -0.889 . . . . 0.0 110.894 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.8 mt -80.24 -45.99 17.03 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.68 5.96 10.0 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 78.8 m-20 48.17 34.34 4.32 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.958 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.457 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.7 t -48.82 -166.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.811 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.24 171.77 10.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.26 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -130.89 40.7 3.45 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.28 -25.25 66.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.598 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mt -112.97 142.93 45.1 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.17 0.509 . . . . 0.0 112.26 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -112.31 132.57 54.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.051 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 87' ' ' VAL . 87.9 t -49.29 -54.16 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.899 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -55.27 -46.42 76.15 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.375 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -58.93 -45.5 90.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.868 0.366 . . . . 0.0 110.369 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.0 mtp -62.55 -43.35 99.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.427 0.632 . . . . 0.0 109.859 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 83' ' ' VAL . 64.2 t -62.84 -46.84 95.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.07 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -71.0 -47.15 60.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.997 0.427 . . . . 0.0 111.421 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.51 -51.54 62.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.074 0.464 . . . . 0.0 110.392 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 58.65 26.69 14.83 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -177.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 90' ' ' ALA . 72.5 t -162.09 89.96 1.41 Allowed Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 113.784 -1.553 . . . . 0.0 109.534 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -72.5 -173.14 1.06 Allowed 'Trans proline' 0 N--CA 1.488 1.183 0 C-N-CA 121.975 1.783 . . . . 0.0 111.46 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.35 130.97 55.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.208 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.8 m -48.2 -34.36 9.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.035 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.45 ' O ' ' OG1' ' A' ' 99' ' ' THR . 63.5 pttt -77.79 -31.01 51.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.695 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.9 m -66.29 -53.7 33.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.643 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.06 -43.02 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 21.5 t80 -58.57 -50.86 72.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.839 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.4 m -58.52 -44.22 89.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.124 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -61.67 -51.41 68.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.503 0.668 . . . . 0.0 110.324 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.97 -37.71 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.011 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -55.19 -56.86 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.707 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -59.43 -46.27 89.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.714 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.95 -45.23 93.32 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -54.36 -48.66 71.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.51 0.671 . . . . 0.0 109.943 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -60.21 -42.68 95.68 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.976 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.7 t -58.95 -40.73 85.58 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.758 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.08 -40.76 96.9 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.987 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.39 -46.76 95.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.728 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -61.46 -49.91 74.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.67 -18.33 53.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.24 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.61 20.93 75.95 Favored Glycine 0 N--CA 1.464 0.563 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 mt -72.96 -44.77 60.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.368 -0.916 . . . . 0.0 111.171 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 CA--C 1.534 0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.278 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.045 0.45 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -58.87 -47.49 84.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.377 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.438 HD22 ' CG2' ' A' ' 101' ' ' ILE . 88.2 mt -65.37 -44.01 88.95 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.54 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.04 -46.94 88.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.525 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -56.72 -48.15 78.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.591 1.186 . . . . 0.0 110.129 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -64.01 -62.31 1.71 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 112.26 -2.245 . . . . 0.0 111.053 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -51.32 -45.8 62.37 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.8 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' O ' ' OG1' ' A' ' 17' ' ' THR . 61.4 ttt-85 -60.41 -45.49 93.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.67 0.748 . . . . 0.0 110.38 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.18 -25.99 4.16 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.279 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.5 mmt -88.77 -23.83 22.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.488 ' O ' ' O ' ' A' ' 20' ' ' TYR . 68.9 p -70.0 -15.17 62.98 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.39 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -64.82 -43.41 93.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 109.533 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.32 -37.32 87.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.072 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.518 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 79.7 m-85 -94.84 155.4 16.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.941 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 23' ' ' VAL . 99.7 mt-10 -118.64 173.29 6.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.717 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.634 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 37.5 t-80 63.21 6.81 2.51 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.442 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 79.6 t -122.87 125.38 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.855 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 78.8 m-20 -142.92 105.27 4.44 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.668 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.15 99.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.651 0.739 . . . . 0.0 112.833 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -97.72 -27.46 14.33 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.847 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.483 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 65.0 t30 -152.8 -170.88 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.483 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 44.7 m-85 -104.32 -8.77 19.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.006 0.432 . . . . 0.0 110.325 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 30' ' ' SER . 88.2 p -106.78 -70.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.806 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.415 ' N ' ' OG ' ' A' ' 29' ' ' SER . 11.8 t -61.55 -43.53 98.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.341 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.424 ' HB3' ' H ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -70.65 0.5 6.81 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.808 -178.598 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -114.25 -4.29 13.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.618 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.3 m -63.23 -6.04 4.0 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.234 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 36' ' ' MET . 23.9 m -93.29 -25.88 17.56 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.525 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 80.38 -15.49 17.86 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.881 -1.688 . . . . 0.0 108.881 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.591 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 27.2 mtt -61.84 -28.86 69.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.518 -0.841 . . . . 0.0 110.192 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.66 -50.26 58.72 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.647 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.62 -45.01 90.12 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.122 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 12.2 m -69.22 -46.95 66.13 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.0 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.518 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -62.79 -42.42 99.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.368 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.5 -43.86 96.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.935 0.398 . . . . 0.0 110.769 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 44' ' ' LYS . 2.9 mm -67.73 -43.47 86.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.793 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 43.7 t-80 -57.7 -5.64 0.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.288 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 42' ' ' ILE . 3.7 tmtt? -85.31 -35.9 21.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.349 0.595 . . . . 0.0 111.256 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -86.58 -36.4 18.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.876 -178.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -121.87 105.48 37.81 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.485 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.595 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -72.96 -34.49 6.44 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.929 1.753 . . . . 0.0 111.731 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -72.52 14.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.595 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -73.55 -76.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.559 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.506 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.5 p90 -168.73 162.39 11.62 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.784 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -83.24 97.91 9.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.63 -21.69 66.5 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.889 0.376 . . . . 0.0 110.995 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.54 -15.14 58.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.709 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -90.48 -11.79 39.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.4 mt -85.62 150.37 24.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.81 167.22 16.6 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.191 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -75.25 -6.56 18.04 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 122.236 1.957 . . . . 0.0 110.012 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.14 -46.19 52.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -94.23 60.96 2.81 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.423 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -67.78 -45.98 73.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -50.69 -51.9 45.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.257 0.551 . . . . 0.0 110.421 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -61.16 -34.15 74.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.763 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 26.7 t30 -62.09 -42.01 98.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.519 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 47.0 m-85 -69.05 -54.03 17.29 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.695 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.475 ' OG1' HG21 ' A' ' 83' ' ' VAL . 18.5 m -53.61 -42.55 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.405 HD21 ' CG ' ' A' ' 50' ' ' PHE . 64.5 tp -60.7 -48.4 81.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.066 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.65 82.24 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.136 -0.625 . . . . 0.0 109.883 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -79.08 -51.54 9.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 t -61.29 -28.16 68.99 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.011 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.9 m -78.15 -46.93 19.32 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.262 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.532 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -65.29 -34.57 78.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.99 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 92.1 mt-10 -71.19 -50.78 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.044 0.449 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -58.91 -39.44 81.54 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.791 -0.764 . . . . 0.0 110.759 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -79.4 -50.02 11.46 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.552 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -118.7 7.23 11.63 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -177.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.4 t70 47.76 37.48 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.022 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 8.4 m -49.28 -166.15 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.499 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.94 171.18 10.98 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.341 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -127.32 40.31 3.73 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.04 -27.0 67.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.687 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.9 mt -113.3 142.28 46.02 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.196 0.522 . . . . 0.0 112.356 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -113.05 134.31 54.58 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.983 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.475 HG21 ' OG1' ' A' ' 65' ' ' THR . 56.1 t -50.27 -54.23 9.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.811 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 20.0 p30 -53.49 -44.7 69.26 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.491 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.58 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 98.2 m-20 -62.42 -43.57 98.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.084 0.469 . . . . 0.0 110.176 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.506 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 5.8 mtp -60.22 -43.02 96.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.118 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.65 -45.75 98.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.117 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -72.91 -50.96 20.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.925 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.19 -58.17 9.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.306 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.03 26.51 15.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 91' ' ' VAL . 77.7 t -160.91 60.37 1.28 Allowed Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.795 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.485 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.6 Cg_endo -45.29 179.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.013 1.809 . . . . 0.0 111.332 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -114.27 129.8 56.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.312 0.577 . . . . 0.0 110.388 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -48.69 -32.96 9.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.897 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -77.08 -31.51 56.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.446 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.4 m -67.15 -54.79 18.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.53 -43.72 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -57.75 -51.43 69.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.322 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.9 m -57.92 -43.21 86.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.034 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -61.59 -49.78 75.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.436 0.636 . . . . 0.0 110.084 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.438 ' CG2' HD22 ' A' ' 9' ' ' LEU . 28.0 mm -62.16 -41.98 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.935 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -47.42 -68.07 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 104' ' ' LEU . 1.3 pp20? -56.75 -44.3 81.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.844 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.544 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 15.3 tp -60.8 -46.29 91.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.464 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -52.48 -47.36 66.59 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.56 0.695 . . . . 0.0 109.568 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -60.85 -40.15 91.77 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.017 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.9 m -59.83 -39.09 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.954 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.2 mt -69.45 -37.32 77.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.241 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.52 -47.8 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.765 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.401 ' H ' ' HG2' ' A' ' 110' ' ' GLN . 5.8 pt20 -65.7 -43.87 87.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -61.03 -25.41 66.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.311 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.61 19.19 58.74 Favored Glycine 0 N--CA 1.464 0.545 0 N-CA-C 109.791 -1.323 . . . . 0.0 109.791 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 113' ' ' LEU . 17.8 mt -76.25 -41.24 49.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.515 -0.843 . . . . 0.0 110.976 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.262 -178.78 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.2 t30 . . . . . 0 C--O 1.231 0.101 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.8 tpt -61.03 -46.2 91.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.441 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.41 HD22 ' CG2' ' A' ' 101' ' ' ILE . 87.4 mt -64.44 -42.93 95.72 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.513 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.83 -46.17 90.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.337 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -57.7 -49.81 75.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.675 1.226 . . . . 0.0 109.882 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -63.06 -64.75 0.82 Allowed 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 112.495 -2.139 . . . . 0.0 111.215 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.433 ' SG ' HD22 ' A' ' 41' ' ' LEU . 1.8 t -50.49 -48.85 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.031 0.443 . . . . 0.0 111.225 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.46 -49.53 76.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.344 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.62 -16.55 0.65 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.262 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.3 mtt -114.7 -1.37 13.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.84 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.13 -13.7 16.69 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.158 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' TYR . 52.9 ttt180 -59.99 -64.58 0.9 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.586 0.708 . . . . 0.0 109.388 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.547 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 2.9 p-10 -45.68 -24.34 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.62 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.407 ' N ' ' C ' ' A' ' 18' ' ' ARG . 39.6 m-85 -90.61 98.77 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.526 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.607 ' C ' ' H ' ' A' ' 23' ' ' VAL . 53.0 mp0 -68.87 176.99 2.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.591 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 23.0 t-80 61.45 -1.99 0.27 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.607 ' H ' ' C ' ' A' ' 21' ' ' GLU . 58.9 t -126.16 130.65 72.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.121 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -145.38 107.31 4.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.1 mt -86.96 87.66 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.553 0.692 . . . . 0.0 112.727 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -92.65 -22.39 19.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.107 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 29' ' ' SER . 45.5 t30 -148.25 -176.13 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.836 -1.074 . . . . 0.0 108.105 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.477 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 58.1 m-85 -106.2 -11.89 15.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.884 0.373 . . . . 0.0 110.431 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.652 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 50.3 m -105.05 -72.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.643 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.9 p -61.87 -43.22 99.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.084 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 1.17 3.24 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.776 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.414 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 27.0 m95 -113.03 -2.25 14.26 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.418 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.9 t -63.35 -1.71 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.253 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 36' ' ' MET . 93.1 p -94.13 -25.68 17.04 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.08 -14.48 10.99 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -178.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.591 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 29.8 mtt -66.16 -27.98 68.43 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.567 -0.816 . . . . 0.0 110.274 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.94 -51.43 61.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.291 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -57.5 -36.92 72.15 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.933 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 86.2 m -78.16 -45.6 22.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.056 0.455 . . . . 0.0 111.449 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.81 97.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.663 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD22 ' SG ' ' A' ' 13' ' ' CYS . 66.9 tp -62.3 -44.74 95.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.801 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 44' ' ' LYS . 30.5 mm -66.11 -43.39 92.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.598 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 28.5 t-80 -53.92 -9.86 0.27 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.387 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 42' ' ' ILE . 4.6 tmtm? -84.74 -35.52 22.41 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.454 0.645 . . . . 0.0 111.238 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -84.43 -39.62 18.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.947 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CG ' HD13 ' A' ' 74' ' ' LEU . 16.3 m-85 -124.83 104.17 30.47 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.303 -178.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.524 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.4 Cg_exo -71.57 -30.67 14.61 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.902 1.735 . . . . 0.0 111.813 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.48 5.12 2.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -64.66 -74.07 0.11 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.835 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.408 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.8 p90 -168.84 162.5 11.43 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.658 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -83.54 95.14 8.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -58.39 -21.41 50.24 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.934 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.84 -17.65 43.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.306 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -85.49 -21.6 28.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.38 151.11 36.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.15 165.91 18.97 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.321 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.16 -13.49 21.07 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.285 1.99 . . . . 0.0 110.212 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.4 -42.54 78.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.433 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -89.45 69.45 7.98 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.97 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -74.54 -52.15 12.68 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.456 -0.497 . . . . 0.0 112.158 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -50.96 -47.4 61.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.266 0.555 . . . . 0.0 110.317 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -63.83 -33.8 76.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.102 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.511 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 42.1 t30 -61.95 -42.63 99.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 45.4 m-85 -69.74 -51.8 31.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.785 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -54.93 -42.09 71.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.3 tp -59.53 -49.01 79.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.012 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.65 79.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.071 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.81 -55.64 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.989 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -58.67 -29.6 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.428 HG22 HD12 ' A' ' 74' ' ' LEU . 92.9 m -75.83 -48.98 19.32 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.279 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.429 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -64.16 -29.65 70.75 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 64.2 mm-40 -70.97 -53.3 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.907 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.57 -37.27 80.75 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.495 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.432 HD13 ' CG ' ' A' ' 46' ' ' PHE . 96.9 mt -76.16 -51.43 12.16 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.33 11.08 8.05 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' GLU . 27.8 t70 46.4 38.85 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.957 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 63.9 m -50.03 -164.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.496 -178.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.74 171.48 10.39 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.333 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -132.76 41.95 3.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.159 0.504 . . . . 0.0 109.766 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.99 -23.43 66.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.434 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 mt -116.76 141.82 47.71 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.183 0.516 . . . . 0.0 112.099 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -109.93 133.37 53.25 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.362 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 87' ' ' VAL . 70.3 t -47.89 -52.71 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.506 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -55.89 -44.93 78.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.106 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.37 -44.33 97.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.942 0.401 . . . . 0.0 110.291 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.495 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 8.1 mtp -61.72 -42.69 99.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.482 0.658 . . . . 0.0 109.63 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 83' ' ' VAL . 70.5 t -65.08 -44.11 95.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.075 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -71.63 -47.88 51.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.585 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.91 -50.34 64.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.065 0.46 . . . . 0.0 110.624 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 60.08 28.04 17.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 90' ' ' ALA . 54.8 t -163.47 94.59 1.08 Allowed Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 113.902 -1.499 . . . . 0.0 109.405 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -72.04 178.31 6.1 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.741 1.627 . . . . 0.0 111.477 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.99 131.97 54.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.534 0.683 . . . . 0.0 110.279 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.8 p -50.57 -37.43 39.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.889 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -77.81 -29.67 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.468 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.2 m -66.46 -53.05 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.352 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.9 -44.75 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.4 t80 -58.55 -51.07 71.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.122 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.0 m -58.41 -43.59 88.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.271 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.09 -50.63 72.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.359 0.6 . . . . 0.0 110.225 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.41 ' CG2' HD22 ' A' ' 9' ' ' LEU . 26.6 mm -61.18 -40.69 86.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.155 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -51.25 -61.77 2.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.777 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.68 -46.24 89.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.801 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.436 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 39.6 tp -60.33 -46.0 91.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.657 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -52.29 -46.22 65.83 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.633 0.73 . . . . 0.0 109.472 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -62.74 -37.86 88.26 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.019 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.9 m -60.0 -38.54 82.92 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.836 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.8 mt -70.52 -38.25 74.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.56 -48.64 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.75 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 111' ' ' LYS . 15.3 pt20 -63.38 -41.8 98.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 1.4 tppp? -60.5 -27.83 67.89 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.74 17.04 60.56 Favored Glycine 0 N--CA 1.462 0.424 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.84 -55.96 5.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.446 -0.877 . . . . 0.0 111.007 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.527 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.951 0.405 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.0 tpt -57.19 -49.4 76.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.287 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 98' ' ' TYR . 87.0 mt -64.98 -44.11 90.4 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.18 0.515 . . . . 0.0 110.644 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.09 -46.9 88.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.548 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.75 -53.7 54.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.532 1.158 . . . . 0.0 109.776 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -54.2 -60.33 3.48 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.384 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' THR . 6.3 t -54.17 -47.09 72.38 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.956 0.407 . . . . 0.0 110.792 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -59.15 -46.87 87.23 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.483 0.659 . . . . 0.0 110.654 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 -23.94 50.01 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.457 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.5 mtm -119.07 -4.38 10.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.155 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' CYS . 97.0 m -107.2 -11.04 15.69 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.516 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.415 ' C ' ' N ' ' A' ' 20' ' ' TYR . 62.0 ttm-85 -70.45 -48.91 53.67 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.466 0.65 . . . . 0.0 109.281 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -47.54 -22.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.773 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.449 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 27.5 m-85 -88.88 107.68 19.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.957 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.542 ' C ' ' H ' ' A' ' 23' ' ' VAL . 47.2 mp0 -68.97 172.09 7.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.553 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.565 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 23.5 t-80 63.52 -0.98 0.63 Allowed 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.542 ' H ' ' C ' ' A' ' 21' ' ' GLU . 57.4 t -128.94 129.68 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.947 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 30.4 p-10 -148.56 110.37 4.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.487 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.97 103.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.549 0.69 . . . . 0.0 112.762 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.578 ' H ' ' CB ' ' A' ' 31' ' ' SER . 57.5 tt0 -104.08 -14.68 15.81 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.937 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 58.9 t30 -175.45 -169.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.344 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.417 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 57.4 m-85 -101.3 -11.21 19.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.022 0.439 . . . . 0.0 110.439 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.4 m -108.48 -68.33 0.92 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.378 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -60.06 -44.73 94.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.072 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.578 ' CB ' ' H ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -71.71 0.84 7.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.775 -178.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.417 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 34.9 m95 -115.49 -7.69 12.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.629 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -56.61 -24.75 50.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.411 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.2 m -76.35 -22.91 54.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.537 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.17 -11.43 23.1 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 108.712 -1.755 . . . . 0.0 108.712 -178.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.48 ' H ' ' C ' ' A' ' 34' ' ' SER . 57.8 mmm -63.56 -29.8 71.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.491 -0.855 . . . . 0.0 110.193 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.51 -53.2 58.35 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.837 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.39 -45.65 84.26 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.109 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 7.0 m -65.57 -46.35 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.165 0.507 . . . . 0.0 111.113 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.09 98.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.319 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD13 ' SG ' ' A' ' 13' ' ' CYS . 56.0 tp -62.7 -44.4 96.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.6 mm -66.25 -43.95 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.529 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.449 ' CG ' ' HH ' ' A' ' 20' ' ' TYR . 28.1 t-80 -56.16 -12.43 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.461 . . . . 0.0 111.267 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -79.17 -38.64 35.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.689 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -83.26 -37.92 22.87 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.429 ' CG ' HD13 ' A' ' 74' ' ' LEU . 13.4 m-85 -123.42 106.76 32.58 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.471 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -71.84 -29.34 15.55 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 121.912 1.741 . . . . 0.0 111.943 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -68.04 -16.07 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.69 -77.67 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.167 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -169.68 162.96 9.95 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.54 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -83.0 95.14 7.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.052 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 26.9 t80 -61.04 -20.71 62.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.29 -17.62 51.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.583 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -87.55 -14.52 39.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.589 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.9 mt -81.14 149.83 28.97 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.221 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 58' ' ' ALA . 71.9 m-20 -124.78 145.78 50.86 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.23 -11.43 1.08 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.91 1.74 . . . . 0.0 110.161 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.461 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.92 -43.45 68.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.012 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.06 75.97 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.137 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -83.14 -49.57 9.35 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -51.11 -45.57 61.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.245 0.545 . . . . 0.0 110.107 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.36 -34.72 77.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.643 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 29.0 t30 -61.2 -42.22 98.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.799 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.503 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 54.9 m-85 -69.45 -54.02 16.36 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.816 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.477 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.6 m -56.01 -42.62 76.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HA ' ' HG ' ' A' ' 69' ' ' SER . 50.8 tp -61.47 -47.65 84.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.847 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.409 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.06 -37.14 78.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.266 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -82.48 -48.79 10.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.779 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.406 ' HG ' ' HA ' ' A' ' 66' ' ' LEU . 87.9 p -63.31 -31.08 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.704 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -76.33 -50.27 14.71 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.44 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.449 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -65.23 -31.66 72.93 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.557 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 79.5 tt0 -69.96 -50.27 43.52 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.773 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -62.83 -35.99 81.72 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.4 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.429 HD13 ' CG ' ' A' ' 46' ' ' PHE . 99.0 mt -76.81 -47.3 21.89 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.454 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.01 9.2 8.09 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 97.1 m-20 47.03 37.63 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.939 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.5 m -49.38 -164.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.615 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.03 169.02 13.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.493 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.76 37.4 3.96 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.065 0.459 . . . . 0.0 110.055 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.54 -21.84 64.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.49 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -110.59 142.62 42.17 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.11 0.481 . . . . 0.0 112.002 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -114.45 131.99 56.42 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.377 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.477 HG21 ' OG1' ' A' ' 65' ' ' THR . 65.2 t -48.93 -54.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.686 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -54.39 -45.97 73.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.445 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.35 -44.89 95.12 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.503 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 12.8 mtp -62.72 -44.2 96.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.476 0.655 . . . . 0.0 109.753 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.2 t -69.03 -42.34 82.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.077 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -71.46 -47.04 58.23 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 77.4 mt -64.54 -51.41 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.459 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 66.48 21.24 10.83 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 90' ' ' ALA . 53.9 t -162.93 92.59 1.2 Allowed Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 113.707 -1.588 . . . . 0.0 109.445 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -71.95 179.91 4.44 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 C-N-CA 121.783 1.655 . . . . 0.0 111.404 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -113.19 128.77 56.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.194 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.9 m -49.37 -33.95 14.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.023 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.436 ' O ' HG22 ' A' ' 99' ' ' THR . 55.4 tttp -72.81 -36.34 67.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 30.0 m -67.02 -42.51 84.78 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.388 0.614 . . . . 0.0 110.383 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.19 -44.82 80.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 23.7 t80 -60.7 -52.79 63.61 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.661 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 100' ' ' TYR . 15.0 t -61.62 -40.57 95.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.914 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.466 ' N ' HG23 ' A' ' 99' ' ' THR . 58.9 t80 -62.78 -51.66 66.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.189 0.519 . . . . 0.0 110.158 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 105' ' ' TYR . 24.0 mm -59.48 -36.72 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.307 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -54.41 -57.84 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.426 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.15 -46.61 87.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.592 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.37 -44.21 97.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' ILE . 89.3 t80 -53.74 -48.76 69.34 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.785 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -59.0 -43.62 91.52 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.834 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.8 m -57.28 -37.69 72.78 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.932 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.31 -40.11 81.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.8 t -62.16 -48.48 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.012 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -64.34 -43.53 94.32 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.533 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -60.02 -27.09 66.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.228 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.46 17.58 60.18 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.1 mt -75.19 -45.6 39.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.952 -0.624 . . . . 0.0 111.043 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.465 0.299 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.442 -179.459 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.109 0.48 . . . . 0.0 110.049 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -59.95 -49.45 77.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.36 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.444 HD22 ' CG2' ' A' ' 101' ' ' ILE . 91.7 mt -66.84 -40.91 88.1 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.571 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.92 -48.38 80.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.633 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.02 -49.85 72.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.689 1.233 . . . . 0.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -60.15 -60.04 4.45 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.261 -2.245 . . . . 0.0 111.443 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.8 m -52.48 -46.43 66.57 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.967 0.413 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -60.93 -46.74 89.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.359 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.25 -16.06 0.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.248 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.08 -1.88 12.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.098 -177.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -89.77 -13.6 36.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.187 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -67.24 -37.31 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.782 0.801 . . . . 0.0 110.183 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -62.26 -37.32 85.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.459 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.458 ' OH ' ' C ' ' A' ' 43' ' ' HIS . 96.1 m-85 -93.68 156.09 16.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.234 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 23' ' ' VAL . 96.8 mt-10 -119.34 172.75 7.39 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.652 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.621 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 31.9 t-80 62.82 3.98 1.33 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.496 ' H ' ' C ' ' A' ' 21' ' ' GLU . 69.4 t -123.55 126.33 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.095 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -141.88 108.1 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.796 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -86.52 88.27 2.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.491 0.662 . . . . 0.0 112.389 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -94.58 -24.48 17.21 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.927 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -148.49 -173.73 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.261 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.439 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 67.2 m-85 -107.33 -11.63 15.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 0.0 110.581 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 p -104.85 -73.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -60.77 -44.12 97.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.504 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.4 m -69.43 1.43 3.95 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.008 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.439 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 30.3 m95 -114.43 -3.71 13.0 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.708 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 t -62.27 -5.67 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.275 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 36' ' ' MET . 2.4 m -93.18 -26.13 17.53 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 79.65 -14.94 15.75 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -177.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.472 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.8 mmm -61.83 -25.92 67.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.506 -0.847 . . . . 0.0 110.313 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.14 -50.14 50.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.914 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -57.65 -46.25 84.43 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.21 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.524 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 2.4 m -69.43 -45.48 69.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.13 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.48 98.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.168 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.73 -44.63 95.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.873 0.368 . . . . 0.0 110.587 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 42' ' ' ILE . 8.7 mm -66.87 -44.5 88.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 59.9 t-80 -54.03 -10.56 0.35 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.028 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 42' ' ' ILE . 7.1 tmtm? -81.74 -35.98 29.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.927 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.98 -23.03 17.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.555 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CD1' HD13 ' A' ' 74' ' ' LEU . 99.5 m-85 -125.29 99.5 33.73 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.449 -178.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.06 -39.69 1.11 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.842 1.695 . . . . 0.0 111.695 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -62.76 -13.99 39.43 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.8 -75.17 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 114.355 -1.293 . . . . 0.0 112.243 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 6.9 p90 -170.24 166.13 8.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.715 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -84.79 96.37 9.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -61.56 -21.73 64.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.868 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.51 -13.16 59.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.448 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -89.53 -19.71 24.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 120.947 0.403 . . . . 0.0 110.485 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.2 mt -79.41 150.8 31.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.12 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' ALA . 1.4 m-20 -124.69 145.44 49.57 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.109 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -50.61 -11.22 0.35 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.194 1.929 . . . . 0.0 109.904 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -80.77 -8.45 59.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.029 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -114.22 53.52 0.79 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.136 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -69.53 -49.79 51.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.662 HH21 ' CD2' ' A' ' 62' ' ' HIS . 69.1 ttp85 -54.98 -46.69 75.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.291 0.567 . . . . 0.0 110.238 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.662 ' CD2' HH21 ' A' ' 61' ' ' ARG . 16.7 m-70 -66.26 -34.6 78.37 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.278 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.524 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 26.2 t-20 -63.48 -41.61 98.58 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.375 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 50.1 m-85 -68.67 -54.98 13.02 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.867 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.464 ' OG1' HG21 ' A' ' 83' ' ' VAL . 10.6 m -56.05 -44.2 78.61 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.83 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.417 HD21 ' CG ' ' A' ' 50' ' ' PHE . 51.8 tp -59.82 -48.29 82.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.222 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.87 79.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.028 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 44.9 m-85 -80.55 -51.39 8.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -61.36 -30.72 70.7 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.0 m -76.07 -50.01 15.91 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.468 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -30.83 71.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 76' ' ' ASP . 84.4 tt0 -70.91 -52.18 21.6 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.604 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.97 -38.91 87.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.669 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.449 HD13 ' CD1' ' A' ' 46' ' ' PHE . 91.2 mt -79.63 -45.58 18.83 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' CG ' ' A' ' 76' ' ' ASP . . . -123.9 5.89 8.69 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 72' ' ' GLU . 3.7 p-10 44.3 41.87 4.76 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.114 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.4 p -58.21 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.52 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.76 170.87 12.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.199 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -133.37 41.14 3.11 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 109.989 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.44 -23.16 66.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.498 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -115.03 143.59 44.94 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 121.272 0.558 . . . . 0.0 112.252 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 97.3 mt-10 -112.91 143.16 44.65 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.298 178.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.464 HG21 ' OG1' ' A' ' 65' ' ' THR . 80.6 t -58.12 -51.96 64.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.366 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -53.99 -45.39 71.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.435 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.4 OUTLIER -65.5 -42.92 91.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.078 0.466 . . . . 0.0 110.384 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.566 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.2 mtp -62.24 -44.59 96.22 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.397 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.25 -41.95 81.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.7 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -71.25 -48.5 50.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.811 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.9 -51.71 60.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 0.0 110.25 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 61.72 24.52 14.61 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 90' ' ' ALA . 74.3 t -162.08 89.19 1.44 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.581 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.14 -175.14 1.82 Allowed 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.925 1.75 . . . . 0.0 111.255 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -119.15 129.63 55.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.237 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.0 t -47.66 -31.94 5.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.967 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -75.43 -34.78 61.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.374 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -66.75 -54.02 27.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.115 0.483 . . . . 0.0 110.968 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.52 -43.87 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -58.28 -50.79 72.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.224 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.1 m -58.44 -41.7 85.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.119 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -62.15 -51.37 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.442 0.639 . . . . 0.0 110.316 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' TYR . 29.4 mm -61.42 -41.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.084 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -50.41 -62.03 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.653 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.88 -46.23 89.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.751 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.41 -45.21 94.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.742 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 101' ' ' ILE . 79.8 t80 -53.64 -47.44 70.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.535 0.684 . . . . 0.0 109.367 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -61.83 -37.71 85.46 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.974 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.3 t -60.63 -41.52 95.02 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.688 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 26.8 mt -68.04 -37.81 81.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.99 0.424 . . . . 0.0 111.235 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.43 -48.4 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -65.49 -41.33 93.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -61.94 -28.18 69.35 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.278 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.44 16.18 59.17 Favored Glycine 0 N--CA 1.463 0.49 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.5 mt -72.96 -43.59 62.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.442 -0.879 . . . . 0.0 110.923 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.277 -179.247 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 121.133 0.492 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.7 tpt -59.68 -49.16 78.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.481 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.42 -44.52 94.37 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.052 0.453 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.57 -47.19 86.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.44 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.83 -53.64 55.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 122.597 1.189 . . . . 0.0 109.953 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -53.83 -61.29 2.4 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 112.661 -2.063 . . . . 0.0 111.462 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 m -53.13 -44.59 67.82 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.968 0.413 . . . . 0.0 110.896 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' MET . 58.6 ttp180 -60.65 -56.25 23.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.674 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.44 -15.08 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.415 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 14' ' ' ARG . 54.0 mtm -120.27 -4.18 9.97 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -95.38 -12.85 25.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -66.15 -47.15 75.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.646 0.736 . . . . 0.0 109.435 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -49.39 -28.57 5.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.683 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -93.65 153.81 18.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 23' ' ' VAL . 95.8 mt-10 -114.6 172.23 7.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.95 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.604 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 50.7 t-80 60.83 6.47 1.19 Allowed 'General case' 0 C--N 1.334 -0.072 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 21' ' ' GLU . 70.1 t -121.92 127.7 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.336 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' O ' ' OG ' ' A' ' 31' ' ' SER . 25.0 t0 -140.88 104.09 4.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.482 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.9 mt -88.36 79.28 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.397 0.618 . . . . 0.0 112.513 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -99.73 -8.83 23.77 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.796 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -157.01 174.11 16.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.508 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.446 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 73.7 m-85 -101.92 -10.13 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.99 0.424 . . . . 0.0 110.48 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -102.86 -73.11 0.67 Allowed 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 p -58.04 -42.76 86.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 43.4 m -72.42 1.97 7.02 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.189 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 38.1 m95 -116.19 -10.52 11.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.663 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -58.41 -18.46 28.38 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.474 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 36' ' ' MET . 5.4 m -88.01 -21.44 24.8 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.54 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.413 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.8 -10.7 23.87 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 108.951 -1.66 . . . . 0.0 108.951 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.455 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.9 mmm -60.08 -28.17 67.6 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.778 -0.711 . . . . 0.0 110.074 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.57 -49.12 51.22 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.683 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.13 -46.8 85.0 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.069 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 8.1 m -69.03 -45.5 70.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.402 . . . . 0.0 111.011 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.17 98.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.406 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.95 -44.38 96.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.875 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.406 ' C ' ' H ' ' A' ' 44' ' ' LYS . 5.9 mm -66.54 -44.43 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.753 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 26.6 t-80 -54.65 -10.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.298 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 42' ' ' ILE . 35.1 tptt -80.52 -36.16 33.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.608 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -96.84 -20.78 17.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.859 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.422 ' CD1' HD13 ' A' ' 74' ' ' LEU . 98.9 m-85 -126.41 99.82 30.0 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.47 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -74.59 -35.26 3.7 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.912 1.741 . . . . 0.0 111.862 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -70.44 -2.48 13.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.27 -75.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.189 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.4 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.2 p90 -170.73 164.11 8.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.637 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -85.99 96.51 9.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -60.75 -21.83 63.4 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.58 -12.87 59.45 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.472 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -95.0 -16.26 22.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.926 0.393 . . . . 0.0 110.613 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.7 mt -80.18 155.64 27.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.138 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.96 162.42 37.19 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.507 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -73.5 -16.59 24.23 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.062 1.842 . . . . 0.0 110.328 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.61 74.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.439 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -84.69 52.34 2.37 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.059 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -65.42 -43.04 91.78 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HG2' HG21 ' A' ' 87' ' ' VAL . 82.2 mtp180 -53.14 -47.36 68.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.221 0.534 . . . . 0.0 110.29 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -67.13 -35.48 79.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.788 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.514 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 20.4 t-20 -62.13 -43.29 99.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.641 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 46.9 m-85 -67.43 -55.38 13.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.781 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.474 ' OG1' HG21 ' A' ' 83' ' ' VAL . 15.1 m -54.83 -42.74 72.28 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.59 -48.92 79.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.339 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.4 77.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.187 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 48.1 m-85 -79.86 -49.73 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.4 m -62.12 -30.26 70.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.9 m -77.42 -45.69 25.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.613 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -64.91 -35.26 80.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' ASP . 40.5 tt0 -71.1 -49.73 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.897 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.29 -40.8 97.48 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.916 -0.713 . . . . 0.0 110.925 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.422 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.5 mt -86.99 -33.09 19.72 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -125.85 0.01 7.33 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 72' ' ' GLU . 68.3 m-20 46.73 37.03 4.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.813 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' ASP . 30.1 p -49.43 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.621 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.43 171.89 9.41 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.38 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -126.25 67.85 1.21 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -103.73 -22.41 13.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.434 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.28 139.52 46.61 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.225 0.536 . . . . 0.0 112.175 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -113.83 128.25 56.33 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.231 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 87' ' ' VAL . 77.4 t -46.69 -53.41 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.6 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -54.25 -45.26 72.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.265 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.71 -43.23 99.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.308 0.575 . . . . 0.0 110.112 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.579 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 12.5 mtp -63.23 -43.03 99.2 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.371 0.605 . . . . 0.0 110.01 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 83' ' ' VAL . 55.4 t -61.38 -51.91 67.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.951 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.519 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 13.0 ptm180 -69.94 -45.65 67.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.891 0.377 . . . . 0.0 111.288 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.519 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 35.6 mt -53.13 -63.22 1.22 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.149 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 89' ' ' LEU . . . 68.16 17.96 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 91' ' ' VAL . 69.8 t -159.64 60.61 1.56 Allowed Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.671 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.456 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.9 Cg_endo -43.98 174.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.042 1.828 . . . . 0.0 111.483 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 92.1 m-20 -106.41 125.81 51.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.945 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.8 p -53.12 -33.86 54.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.36 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -68.62 -43.59 76.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.596 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 1.8 p -62.56 -44.9 95.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.344 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.591 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 97.3 t -61.38 -45.85 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 15.0 t80 -60.6 -50.78 72.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.134 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.2 m -58.9 -42.92 90.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.623 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -62.02 -50.24 72.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.421 0.629 . . . . 0.0 110.158 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.9 mm -61.63 -40.44 86.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -53.51 -58.68 6.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -58.72 -42.97 89.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.869 0.842 . . . . 0.0 109.957 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.94 -39.79 87.4 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.927 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 101' ' ' ILE . 78.3 t80 -56.45 -51.37 68.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 107' ' ' SER . 16.6 ptm180 -63.84 -36.24 83.25 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.956 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 19.3 m -60.97 -37.7 83.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.65 -37.97 80.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.651 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.76 -48.26 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 111' ' ' LYS . 11.8 pt20 -61.8 -44.99 95.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 60.0 mttp -60.19 -25.25 65.43 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.225 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.06 16.72 62.46 Favored Glycine 0 N--CA 1.465 0.573 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.57 -45.86 50.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.773 -0.714 . . . . 0.0 110.998 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.019 -179.196 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 8' ' ' MET . 18.7 p30 . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.874 0.368 . . . . 0.0 110.173 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.509 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 0.9 OUTLIER -59.0 -48.28 82.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.319 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.44 -44.35 91.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.701 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.38 -46.82 88.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.347 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -58.99 -53.67 55.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.641 1.21 . . . . 0.0 110.087 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.11 -61.49 2.28 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 112.62 -2.082 . . . . 0.0 110.789 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.2 t -52.45 -44.05 65.28 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.051 0.453 . . . . 0.0 110.72 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.74 -44.13 97.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.376 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.19 -22.52 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.952 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mtt -105.91 -9.68 17.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.551 ' OG1' HD12 ' A' ' 25' ' ' ILE . 25.2 m -79.49 -15.32 57.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.06 0.457 . . . . 0.0 111.46 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -64.8 -41.01 96.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.43 0.633 . . . . 0.0 109.733 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.01 -36.51 84.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.441 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.52 ' OH ' ' N ' ' A' ' 44' ' ' LYS . 70.3 m-85 -92.62 150.2 20.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.008 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 23' ' ' VAL . 12.7 pt-20 -118.99 176.8 5.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.356 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.6 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 53.9 t-80 63.52 5.4 2.11 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-O 121.795 0.807 . . . . 0.0 108.832 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.434 ' H ' ' C ' ' A' ' 21' ' ' GLU . 78.8 t -123.8 129.21 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.885 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -137.08 104.98 5.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.722 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.551 HD12 ' OG1' ' A' ' 17' ' ' THR . 93.5 mt -80.54 91.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 112.673 -178.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -99.95 -25.13 14.43 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.762 -1.108 . . . . 0.0 108.798 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.819 HD21 ' H ' ' A' ' 30' ' ' SER . 52.5 p-10 -156.56 -172.75 4.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.336 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.483 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 54.1 m-85 -103.2 -8.32 20.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.058 0.456 . . . . 0.0 110.592 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -102.75 -74.99 0.62 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.819 ' H ' HD21 ' A' ' 27' ' ' ASN . 7.1 t -60.9 -42.27 97.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.498 -178.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.9 m -70.73 -1.43 11.43 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.195 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.483 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.0 m95 -112.6 -5.92 13.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.739 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 t -61.21 -5.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.533 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 36' ' ' MET . 91.6 p -93.16 -24.06 18.36 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.62 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.96 -12.32 24.37 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.46 ' H ' ' C ' ' A' ' 34' ' ' SER . 33.1 mmm -62.8 -31.1 72.02 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.807 -0.697 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -52.68 61.72 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.827 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -57.79 -45.35 86.18 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.13 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 11.1 m -65.81 -47.57 74.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.991 0.424 . . . . 0.0 111.282 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -63.06 -42.19 99.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.414 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.09 -44.19 96.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.021 0.438 . . . . 0.0 110.979 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.8 mm -66.2 -42.91 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.74 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -54.11 -48.18 71.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.831 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.52 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 6.1 tmtt? -45.27 -34.08 2.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.658 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.8 m-85 -94.15 -28.92 15.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.863 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.44 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.5 m-85 -121.9 99.93 43.75 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.354 -178.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.554 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_endo -75.25 -38.69 1.38 Allowed 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.971 1.781 . . . . 0.0 111.904 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -72.2 11.44 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.542 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.554 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -75.41 -71.65 0.35 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.788 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -169.97 163.13 9.42 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.598 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -85.65 96.67 9.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -58.15 -22.43 51.13 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.954 0.407 . . . . 0.0 110.921 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.47 -16.83 53.39 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -88.43 -15.84 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.3 mt -82.98 154.39 24.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.181 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -126.14 161.47 51.63 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.463 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -74.34 -9.88 21.98 Favored 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 122.019 1.813 . . . . 0.0 110.005 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.29 76.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.598 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -95.2 71.82 3.3 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.87 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.59 -46.51 59.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.092 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -50.78 -56.96 9.65 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.325 0.584 . . . . 0.0 110.965 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -57.92 -35.71 71.46 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.542 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 t-20 -62.37 -42.67 99.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.549 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 50.6 m-85 -69.83 -52.1 27.93 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.6 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -56.61 -44.32 81.02 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.77 -46.28 91.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.182 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -62.41 -38.76 90.92 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.267 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -81.01 -51.65 8.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.111 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.8 m -60.39 -27.86 67.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.693 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.454 HG22 HD12 ' A' ' 74' ' ' LEU . 97.3 m -78.78 -47.64 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.447 178.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.49 75.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.76 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' ASP . 82.1 tt0 -73.36 -50.18 23.31 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.783 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.22 -40.96 91.99 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.632 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.454 HD12 HG22 ' A' ' 70' ' ' THR . 93.9 mt -79.31 -43.27 23.95 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 76' ' ' ASP . . . -125.05 6.65 7.93 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 72' ' ' GLU . 4.1 p-10 41.92 46.79 3.59 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.452 0.644 . . . . 0.0 109.998 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.8 t -58.5 -163.3 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.474 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.74 167.87 17.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.326 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -125.14 63.05 1.16 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -96.61 -22.94 16.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.669 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.1 mt -114.93 137.31 52.14 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.2 0.524 . . . . 0.0 112.171 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.64 139.18 47.3 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.962 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 87' ' ' VAL . 72.9 t -58.18 -51.61 68.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.629 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.71 -44.77 73.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.009 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.02 -42.69 97.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.411 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.8 mtp -62.39 -42.52 99.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.332 0.587 . . . . 0.0 109.45 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' VAL . 69.5 t -64.8 -44.87 96.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.949 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -72.6 -47.64 46.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.863 0.363 . . . . 0.0 111.737 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 54.6 mt -56.6 -60.12 4.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.228 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 66.17 19.36 11.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 90' ' ' ALA . 73.9 t -161.91 88.19 1.5 Allowed Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 113.692 -1.594 . . . . 0.0 109.358 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -72.73 -174.36 1.47 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 121.879 1.719 . . . . 0.0 111.444 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.495 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 57.4 t0 -123.69 130.48 52.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.6 p -48.81 -31.48 7.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.081 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -71.12 -40.77 71.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.731 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 4.0 p -66.09 -47.76 73.15 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.73 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.629 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 84.1 t -64.37 -44.14 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 26.4 t80 -59.67 -51.0 71.68 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.173 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.5 m -57.85 -44.31 86.46 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.94 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -62.05 -49.85 74.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.293 0.568 . . . . 0.0 110.035 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.5 mm -60.86 -41.43 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.896 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -51.43 -61.54 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.61 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.64 -45.57 89.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.628 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.5 -44.33 96.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.383 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 81.2 t80 -53.74 -48.74 69.38 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.733 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -59.94 -43.57 94.89 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.085 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.5 p -60.11 -37.45 80.03 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.986 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.14 -39.68 82.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.11 -49.72 82.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -62.12 -45.67 92.43 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -58.5 -27.85 64.85 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.274 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.81 17.29 58.38 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.4 mt -73.85 -44.3 55.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.784 -0.708 . . . . 0.0 111.044 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.122 -179.121 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.0 t30 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 121.028 0.442 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 tpt -58.48 -51.0 71.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.545 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 ' CE2' ' A' ' 98' ' ' TYR . 88.7 mt -64.71 -43.37 93.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.465 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.93 -47.48 84.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.451 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.04 -50.88 71.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.671 1.224 . . . . 0.0 109.716 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.436 ' O ' ' CE ' ' A' ' 16' ' ' MET . 82.2 t90 -59.39 -60.94 3.05 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.478 -2.146 . . . . 0.0 111.266 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.2 m -51.71 -44.56 63.22 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.127 0.489 . . . . 0.0 110.79 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 16' ' ' MET . 77.0 ttt-85 -63.03 -49.67 73.68 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.28 -12.72 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.428 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' ARG . 1.9 mpp? -110.97 -17.38 13.31 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.606 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' ARG . 48.2 m -70.09 -15.78 63.03 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.299 0.375 . . . . 0.0 111.482 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -65.96 -36.16 82.58 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.582 0.706 . . . . 0.0 109.932 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -67.23 -38.75 85.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.643 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -95.53 155.37 16.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.84 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 23' ' ' VAL . 98.0 mt-10 -119.16 174.51 6.29 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.611 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 51.0 t-80 60.99 6.35 1.21 Allowed 'General case' 0 C--O 1.227 -0.108 0 CA-C-O 122.082 0.944 . . . . 0.0 108.577 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.48 ' H ' ' C ' ' A' ' 21' ' ' GLU . 74.8 t -122.66 127.39 74.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.862 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 31' ' ' SER . 70.2 m-20 -136.57 105.75 6.01 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.194 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CD1' ' OG1' ' A' ' 17' ' ' THR . 45.1 mt -85.64 83.65 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 121.43 0.633 . . . . 0.0 111.956 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -99.1 -21.69 16.05 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.077 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 31' ' ' SER . 4.8 p30 -148.98 179.56 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.289 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.411 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 64.1 m-85 -104.37 -9.05 18.77 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.146 0.498 . . . . 0.0 110.405 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 30' ' ' SER . 93.0 p -102.55 -72.99 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.839 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.452 ' N ' ' OG ' ' A' ' 29' ' ' SER . 67.4 m -59.54 -42.26 91.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.498 -178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 16.8 t -71.51 2.39 5.13 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.17 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.411 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 34.6 m95 -116.99 -7.67 11.33 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.656 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -56.54 -31.58 64.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.465 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.1 m -72.51 -22.85 60.98 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.0 -11.42 21.99 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.577 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 60.1 mtp -62.46 -27.19 68.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.424 -0.888 . . . . 0.0 110.071 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.8 -50.0 53.91 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.482 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.93 -46.3 88.3 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.105 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 3.8 m -65.57 -47.12 76.87 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.013 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.52 98.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.363 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.39 -43.12 98.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.046 0.451 . . . . 0.0 110.89 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 mm -65.99 -39.99 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.573 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -57.26 -42.28 81.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -49.15 -36.68 19.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.135 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -93.73 -29.57 15.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.085 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CD1' HD13 ' A' ' 74' ' ' LEU . 99.1 m-85 -120.93 100.51 46.04 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.92 -40.92 0.77 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.876 1.718 . . . . 0.0 111.707 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -63.11 -11.12 17.75 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.16 -75.64 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.076 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -169.07 163.47 11.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.64 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -83.64 95.3 8.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -60.93 -19.46 60.69 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.071 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.54 -13.69 57.77 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.566 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -95.42 -15.21 23.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.645 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.6 mt -81.84 153.03 26.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.949 0.404 . . . . 0.0 111.003 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -123.41 165.58 22.21 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.326 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -74.37 -12.16 22.86 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.301 2.001 . . . . 0.0 110.042 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.39 80.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -86.44 60.18 6.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -69.84 -51.17 35.74 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -52.02 -49.29 63.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.307 0.575 . . . . 0.0 110.196 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -64.77 -33.42 75.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.509 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 20.9 t-20 -62.15 -41.27 98.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.671 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 26.6 m-85 -69.49 -53.58 18.44 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.742 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.465 ' OG1' HG21 ' A' ' 83' ' ' VAL . 18.5 m -53.88 -41.5 67.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.39 -50.01 75.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.058 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.02 -36.06 72.16 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.962 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -82.56 -52.84 6.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.272 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 m -59.74 -31.41 69.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.035 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -76.97 -50.89 12.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.235 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.35 71.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.817 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 76' ' ' ASP . 65.0 mm-40 -71.2 -50.98 27.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.698 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.38 -38.79 88.29 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.68 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 46' ' ' PHE . 96.4 mt -79.8 -42.98 23.28 Favored 'General case' 0 CA--C 1.53 0.212 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.475 ' O ' ' CG ' ' A' ' 76' ' ' ASP . . . -127.36 6.29 6.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 72' ' ' GLU . 3.1 p30 43.19 42.81 3.65 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.339 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.4 p -57.31 -162.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.402 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.32 169.56 13.61 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.235 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -129.13 43.24 3.18 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.08 -24.86 64.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.392 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mt -112.87 140.12 47.93 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.126 0.488 . . . . 0.0 112.207 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 80.8 mm-40 -114.56 126.81 55.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.378 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.465 HG21 ' OG1' ' A' ' 65' ' ' THR . 89.6 t -43.66 -51.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.283 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -52.73 -45.56 67.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.38 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -68.51 -40.71 80.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.088 0.47 . . . . 0.0 110.311 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 8.6 mtp -61.7 -45.43 94.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.716 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.9 -42.71 85.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.933 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -70.85 -47.61 58.39 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -64.44 -51.44 63.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.273 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 62.57 25.31 15.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 90' ' ' ALA . 53.9 t -163.91 92.17 1.08 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.703 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -72.68 -175.02 1.66 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.887 1.725 . . . . 0.0 111.393 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -120.91 131.14 54.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.24 0.543 . . . . 0.0 110.362 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.5 p -48.41 -32.28 7.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.037 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -77.68 -32.42 53.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.486 179.298 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.5 m -67.01 -52.69 39.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.063 0.459 . . . . 0.0 110.588 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.45 -43.58 98.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 17.0 t80 -57.65 -51.21 70.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.376 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 14.7 m -57.9 -42.56 84.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.214 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -61.76 -50.47 72.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.459 0.647 . . . . 0.0 110.138 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 105' ' ' TYR . 27.3 mm -61.36 -40.98 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.053 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.542 HE21 ' NH1' ' A' ' 106' ' ' ARG . 33.3 tt0 -50.09 -63.59 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.783 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.9 -46.54 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.7 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.42 -45.98 90.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.698 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 101' ' ' ILE . 85.1 t80 -51.84 -46.74 64.47 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.685 0.755 . . . . 0.0 109.55 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.542 ' NH1' HE21 ' A' ' 102' ' ' GLN . 94.4 mtt180 -61.81 -38.32 87.69 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.04 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.4 m -61.22 -39.06 88.85 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.123 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.3 mt -68.12 -36.13 79.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.35 -48.38 85.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -64.35 -47.48 79.15 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -56.96 -29.18 62.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.246 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.76 17.83 55.78 Favored Glycine 0 N--CA 1.464 0.554 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.5 mt -73.29 -44.96 58.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.361 -0.92 . . . . 0.0 111.034 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.305 -179.307 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 121.036 0.446 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.9 OUTLIER -60.15 -55.5 33.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.54 -179.555 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD12 ' CE2' ' A' ' 98' ' ' TYR . 36.1 mt -65.46 -41.58 93.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.795 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -62.02 -48.44 80.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.699 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -58.44 -51.24 70.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.593 1.187 . . . . 0.0 110.15 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -55.78 -62.32 1.77 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 112.457 -2.156 . . . . 0.0 111.611 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 14.6 p -50.75 -45.23 58.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.007 0.432 . . . . 0.0 111.396 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.606 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 51.2 ttt85 -61.15 -45.24 95.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.169 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.97 -21.84 1.97 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.389 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mmt -96.5 -3.81 42.6 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.601 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 14' ' ' ARG . 75.7 p -91.49 -13.24 32.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.319 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -65.23 -45.32 85.14 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.589 0.709 . . . . 0.0 109.736 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -65.63 -35.81 81.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.091 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 17' ' ' THR . 37.4 m-85 -90.52 150.38 21.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.795 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 23' ' ' VAL . 12.5 pt-20 -115.14 172.27 7.17 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.61 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.611 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 27.5 t-80 62.38 5.1 1.47 Allowed 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.475 ' H ' ' C ' ' A' ' 21' ' ' GLU . 82.4 t -125.15 128.77 73.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' O ' ' OG ' ' A' ' 31' ' ' SER . 39.8 t0 -147.52 106.29 3.82 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.9 mt -85.29 92.17 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -98.18 -20.76 17.1 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.656 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -152.39 -178.48 6.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.419 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.438 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 53.0 m-85 -102.5 -11.52 18.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.926 0.394 . . . . 0.0 110.427 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 30' ' ' SER . 84.9 p -101.31 -75.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.431 ' N ' ' OG ' ' A' ' 29' ' ' SER . 46.5 m -56.77 -42.59 79.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.693 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 41.1 t -72.93 1.46 8.73 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.382 -178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.438 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.1 m95 -114.15 -10.46 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.597 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -62.23 -7.06 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.433 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.489 ' C ' ' H ' ' A' ' 36' ' ' MET . 6.0 t -91.85 -22.5 20.06 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.66 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.559 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.71 -13.37 18.1 Favored Glycine 0 CA--C 1.519 0.292 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.489 ' H ' ' C ' ' A' ' 34' ' ' SER . 49.9 mmm -61.93 -32.15 72.53 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.569 -0.816 . . . . 0.0 110.145 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.12 55.46 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.7 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -58.71 -45.4 89.62 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.186 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.622 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 14.8 p -70.27 -46.07 65.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.003 0.43 . . . . 0.0 111.299 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.622 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -64.8 -42.27 95.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.51 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.51 -44.2 96.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.889 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.47 -35.25 71.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.229 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -59.81 -36.99 77.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.139 0.495 . . . . 0.0 110.85 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -54.9 -37.65 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.296 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -90.89 -35.51 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.818 -178.213 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.461 ' CD1' HD13 ' A' ' 74' ' ' LEU . 97.8 m-85 -116.62 103.14 52.92 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.392 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_exo -75.01 -40.67 0.82 Allowed 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.922 1.748 . . . . 0.0 111.768 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.41 -0.56 3.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -56.19 -76.7 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.084 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -168.1 162.28 13.0 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.609 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -81.55 96.87 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 55' ' ' LEU . 66.1 t80 -62.2 -19.11 62.78 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.54 -22.49 34.94 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.624 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -81.46 -20.1 40.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.979 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 52' ' ' TYR . 72.5 mt -72.12 -171.25 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.477 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -159.32 164.47 20.63 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.233 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -74.95 -20.26 17.15 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.215 1.944 . . . . 0.0 110.246 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.16 -42.99 71.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.401 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.78 54.82 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.243 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 -69.84 -42.05 74.1 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.561 HH11 HG11 ' A' ' 87' ' ' VAL . 90.9 mtt-85 -50.26 -54.73 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.391 0.615 . . . . 0.0 110.409 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -62.56 -31.82 72.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.807 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 46.6 t30 -61.94 -42.61 99.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 50.4 m-85 -67.98 -55.6 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.399 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.499 ' OG1' HG21 ' A' ' 83' ' ' VAL . 18.3 m -53.26 -42.79 66.86 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.44 ' O ' ' OG1' ' A' ' 70' ' ' THR . 55.8 tp -61.38 -46.95 88.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.013 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.07 87.08 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.034 -0.667 . . . . 0.0 110.086 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.98 -49.69 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.2 t -61.65 -28.84 69.67 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 32.4 m -77.84 -47.14 19.54 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.313 178.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.58 76.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 76' ' ' ASP . 13.0 tm-20 -72.04 -49.97 32.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.792 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -60.3 -40.3 90.01 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.859 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.6 mt -78.51 -45.17 22.62 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.484 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.93 8.69 7.45 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 72' ' ' GLU . 69.3 m-20 46.44 36.78 3.7 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.94 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 94.8 m -49.97 -163.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.547 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.73 168.59 14.21 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.384 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.86 41.32 3.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.928 0.394 . . . . 0.0 109.953 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.06 -20.97 63.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.548 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mt -116.26 138.71 51.08 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.166 0.507 . . . . 0.0 112.28 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 49.7 mp0 -108.32 144.2 36.17 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.273 178.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG21 ' OG1' ' A' ' 65' ' ' THR . 66.7 t -58.32 -51.65 68.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.441 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.2 p30 -55.33 -46.78 76.34 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.132 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 35.0 t0 -63.2 -43.92 96.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.054 0.455 . . . . 0.0 110.004 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.452 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.8 mtp -62.55 -44.52 96.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.347 0.594 . . . . 0.0 109.87 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.561 HG11 HH11 ' A' ' 61' ' ' ARG . 77.3 t -70.64 -41.28 77.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.883 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.405 ' NH2' ' OD1' ' A' ' 85' ' ' ASP . 65.3 ttp85 -70.72 -45.84 64.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.807 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.38 -51.68 62.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.081 0.467 . . . . 0.0 110.315 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 63.8 21.06 12.51 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.4 -1.334 . . . . 0.0 107.4 -177.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 90' ' ' ALA . 68.6 t -162.26 89.0 1.41 Allowed Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.462 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -72.46 -173.0 1.02 Allowed 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.983 1.789 . . . . 0.0 111.397 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.76 130.77 53.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.251 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.9 p -48.73 -31.62 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.092 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 99' ' ' THR . 20.6 ptmt -76.22 -34.07 59.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.486 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 59.4 m -69.12 -40.97 77.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.455 0.645 . . . . 0.0 110.581 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.18 -43.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.244 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.478 ' CE2' HD12 ' A' ' 9' ' ' LEU . 20.6 t80 -61.92 -53.05 61.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.845 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 100' ' ' TYR . 14.2 t -58.8 -42.5 89.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.331 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.506 ' N ' HG23 ' A' ' 99' ' ' THR . 47.9 t80 -61.4 -49.92 74.95 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.376 0.608 . . . . 0.0 110.053 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.13 -36.91 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.926 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -54.68 -56.75 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.701 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -60.12 -45.8 91.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.332 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.43 -43.94 96.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.707 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -54.01 -47.26 71.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.431 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.39 -40.47 90.99 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.871 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 t -61.01 -39.2 88.81 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.72 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 114' ' ' VAL . 90.1 mt -67.31 -37.61 83.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.828 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.43 -49.21 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -65.24 -49.16 70.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -51.99 -30.57 25.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.273 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.96 17.13 58.45 Favored Glycine 0 N--CA 1.463 0.487 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.36 -47.04 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.515 -0.843 . . . . 0.0 111.061 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' A' ' 108' ' ' LEU . 2.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.475 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.963 0.411 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.7 tpt -59.9 -46.67 88.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.311 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.473 HD12 ' CE2' ' A' ' 98' ' ' TYR . 87.4 mt -64.7 -44.34 90.58 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.536 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.45 -46.82 88.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.406 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.32 -53.26 60.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.626 1.203 . . . . 0.0 110.118 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -53.98 -60.13 3.73 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 112.489 -2.142 . . . . 0.0 111.551 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 13.6 p -53.89 -43.09 69.36 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.128 0.49 . . . . 0.0 111.084 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.598 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 33.9 ttm180 -58.48 -47.07 85.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.352 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.72 -26.28 3.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.232 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.467 ' N ' ' SD ' ' A' ' 16' ' ' MET . 3.5 mmt -97.63 -6.65 32.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.418 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.439 ' O ' HG22 ' A' ' 17' ' ' THR . 64.5 m -87.19 -14.42 41.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.366 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -65.18 -42.87 93.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.662 0.744 . . . . 0.0 109.617 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 29.6 t-20 -62.98 -35.61 80.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.911 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -91.53 151.17 20.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.125 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 23' ' ' VAL . 15.1 pt-20 -119.29 174.28 6.44 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.517 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.632 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 39.4 t-80 62.49 3.02 0.99 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 21' ' ' GLU . 89.8 t -123.94 127.16 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.308 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 29.5 p-10 -141.18 106.94 5.11 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.904 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.9 mt -85.34 89.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.492 0.663 . . . . 0.0 112.395 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -103.39 -2.63 26.68 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.946 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -167.03 178.38 5.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.264 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.421 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 42.6 m-85 -104.18 -12.11 16.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.929 0.395 . . . . 0.0 110.284 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 m -103.03 -72.99 0.68 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -60.04 -42.48 94.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.464 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.9 m -70.91 0.92 6.28 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.289 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.421 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 32.3 m95 -113.96 -6.38 13.17 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.647 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.6 m -54.89 -40.73 70.09 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.437 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.3 m -64.26 -22.99 67.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.51 -9.28 36.12 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.451 ' H ' ' C ' ' A' ' 34' ' ' SER . 53.9 mmm -62.19 -29.83 70.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.545 -0.828 . . . . 0.0 110.28 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.79 -51.34 56.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.839 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -45.95 86.28 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.366 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 3.6 m -68.87 -46.36 68.64 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.36 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.34 89.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.383 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.9 -43.92 91.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.927 0.394 . . . . 0.0 110.851 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.451 ' C ' ' H ' ' A' ' 44' ' ' LYS . 2.8 mm -66.98 -45.08 87.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.918 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 31.7 t-80 -57.28 -6.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 -178.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.98 -36.3 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.772 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -84.67 -40.72 17.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.855 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.553 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 34.4 m-85 -118.57 78.34 14.96 Favored Pre-proline 0 C--O 1.22 -0.448 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.212 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.1 Cg_endo -46.57 -34.05 14.28 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 121.819 1.679 . . . . 0.0 111.678 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -68.29 -1.1 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -54.75 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.618 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.2 p90 -167.22 160.74 13.95 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.619 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -78.51 90.31 4.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.17 -22.04 65.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.15 -12.79 59.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.512 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -94.05 -12.84 27.72 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.723 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.25 152.19 25.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.954 0.407 . . . . 0.0 110.897 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' C ' ' H ' ' A' ' 58' ' ' ALA . 22.3 m-20 -124.79 144.87 47.96 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.305 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.12 -12.17 1.32 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.043 1.828 . . . . 0.0 109.921 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.83 -45.75 63.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.649 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -85.96 60.08 6.02 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.316 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 19.4 ptp180 -73.74 -45.75 50.07 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 82.0 mtp180 -52.35 -48.6 65.42 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.409 0.623 . . . . 0.0 110.089 -178.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -66.94 -34.54 77.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.524 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.52 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 20.5 t-20 -61.7 -43.13 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.152 0.501 . . . . 0.0 110.539 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.52 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 52.5 m-85 -65.94 -57.7 7.24 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.569 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.455 ' OG1' HG21 ' A' ' 83' ' ' VAL . 12.6 m -51.58 -41.32 61.08 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.69 -50.06 75.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.218 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.87 80.49 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.895 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -78.16 -46.05 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.73 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.4 m -64.98 -27.51 68.88 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.665 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.6 m -77.43 -47.58 19.38 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.328 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.19 79.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' ASP . 83.2 tt0 -74.34 -49.54 22.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.091 0.472 . . . . 0.0 110.769 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -58.46 -43.23 88.77 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.459 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 46' ' ' PHE . 93.2 mt -78.76 -51.78 9.3 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.061 0.764 . . . . 0.0 113.061 -178.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 8.47 15.83 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 72' ' ' GLU . 74.9 m-20 45.21 43.59 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.927 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 76' ' ' ASP . 14.6 p -49.05 -166.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.487 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.76 172.89 9.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.255 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -127.52 68.6 1.3 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -101.58 -26.14 13.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.653 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.9 mt -116.26 142.71 46.48 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.383 0.611 . . . . 0.0 111.923 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -111.52 143.02 43.05 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.694 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.455 HG21 ' OG1' ' A' ' 65' ' ' THR . 61.5 t -58.05 -51.18 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.138 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -53.97 -44.95 71.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.008 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -59.53 -44.4 93.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 2.6 mtm -62.35 -47.16 85.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.439 0.637 . . . . 0.0 110.289 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.0 t -63.03 -43.78 99.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.645 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -72.46 -48.86 37.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.781 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.9 -47.99 67.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.371 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 57.05 29.0 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 90' ' ' ALA . 61.3 t -164.24 88.91 1.11 Allowed Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 113.789 -1.55 . . . . 0.0 109.63 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -71.22 -171.83 0.66 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 121.881 1.72 . . . . 0.0 111.42 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -124.13 131.5 53.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.289 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 76.4 p -49.24 -32.3 10.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.056 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -74.89 -35.53 62.26 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.537 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -66.58 -52.85 40.93 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.05 -43.33 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.021 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 16.4 t80 -59.81 -51.0 71.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.05 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.6 m -58.49 -44.67 89.5 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.77 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.85 -49.9 75.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.482 0.658 . . . . 0.0 110.19 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.5 mm -60.75 -40.3 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.088 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -50.59 -62.05 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -58.46 -45.44 88.6 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.755 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.6 -45.3 94.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.97 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -52.34 -47.57 65.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.49 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -60.65 -39.73 89.4 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.996 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 m -59.24 -39.38 82.59 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.952 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.8 mt -69.07 -37.15 78.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.2 -48.64 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -65.18 -44.07 89.61 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -58.88 -26.8 64.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.327 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.93 18.78 60.61 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.64 -50.62 17.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.486 -0.857 . . . . 0.0 110.856 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.594 -179.648 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.997 0.427 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 tpt -60.42 -48.45 81.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.332 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.498 HD22 ' CG2' ' A' ' 101' ' ' ILE . 89.9 mt -65.14 -43.34 92.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.46 -47.26 86.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.454 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.54 -49.41 76.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.629 1.204 . . . . 0.0 110.004 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -61.17 -62.48 1.81 Allowed 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 112.533 -2.121 . . . . 0.0 111.226 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 m -51.61 -48.93 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.016 0.436 . . . . 0.0 110.764 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -60.28 -47.04 87.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.311 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -54.66 -24.15 20.43 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.365 -178.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -106.75 -2.13 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.742 -179.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -10.13 34.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.343 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -67.35 -37.77 83.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.669 0.747 . . . . 0.0 109.283 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -56.79 -33.61 66.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.523 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 66.9 m-85 -106.98 102.11 11.49 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.855 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 23' ' ' VAL . 95.8 mt-10 -66.56 -172.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.626 0.25 . . . . 0.0 110.757 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.635 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 32.2 t-80 60.15 1.48 0.35 Allowed 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.911 0.862 . . . . 0.0 108.838 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 21' ' ' GLU . 77.9 t -124.01 128.45 74.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.878 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 41.9 p-10 -140.67 106.44 5.14 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.7 mt -86.27 83.74 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 121.392 0.615 . . . . 0.0 112.48 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.509 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 88.8 mt-30 -95.93 -20.69 18.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.958 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 26' ' ' GLN . 17.7 m120 -147.67 179.0 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.179 178.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 72.5 m-85 -104.69 -9.88 17.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.983 0.42 . . . . 0.0 110.437 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -105.21 -72.74 0.7 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.8 t -60.74 -44.21 96.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.447 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m -69.47 0.05 5.79 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.073 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.47 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 28.2 m95 -112.16 -3.83 14.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.637 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -64.92 -0.5 1.56 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.438 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 36' ' ' MET . 3.1 m -95.33 -25.2 16.4 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.35 -14.89 14.05 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -178.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.602 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 33.6 mtt -64.23 -33.5 75.94 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.64 -0.78 . . . . 0.0 110.4 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -53.57 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.547 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -58.57 -46.6 86.58 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.136 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 1.6 m -67.4 -46.15 74.08 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.925 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.6 97.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.963 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.42 -43.66 96.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.862 0.363 . . . . 0.0 110.492 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 44' ' ' LYS . 3.0 mm -66.27 -44.31 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.534 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.655 ' CD2' ' H ' ' A' ' 52' ' ' TYR . 63.0 t-80 -52.81 -10.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.168 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 42' ' ' ILE . 16.6 tptp -84.09 -35.27 23.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.645 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.99 -31.49 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.022 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.469 ' CG ' HD13 ' A' ' 74' ' ' LEU . 43.6 m-85 -131.28 95.93 23.14 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.525 -177.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -76.32 -42.06 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.989 1.793 . . . . 0.0 111.6 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.48 -17.55 14.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.97 -60.1 3.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.928 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 30.4 p90 -172.6 165.61 5.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.481 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -94.13 109.46 21.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.655 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 67.7 t80 -63.04 -17.38 62.17 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.88 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.36 -24.3 37.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.715 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -75.6 -18.8 59.61 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.9 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -68.1 -179.9 1.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.021 0.439 . . . . 0.0 111.319 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 58' ' ' ALA . 12.6 t70 -159.16 137.0 7.32 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.321 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.492 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 1.8 Cg_endo -52.43 -11.17 1.06 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.909 1.739 . . . . 0.0 109.909 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -83.51 -10.11 58.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.132 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.44 57.08 0.77 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.939 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' A' ' 57' ' ' PRO . 88.4 mtm-85 -70.2 -51.01 34.26 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.419 ' HG2' HG21 ' A' ' 87' ' ' VAL . 82.1 mtp180 -51.9 -45.83 64.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.36 0.6 . . . . 0.0 110.484 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -67.01 -35.19 79.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.768 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.509 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 22.3 t-20 -62.36 -43.53 98.61 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.798 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.554 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 50.6 m-85 -67.91 -55.01 14.42 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.75 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.5 m -53.47 -43.57 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.122 0.487 . . . . 0.0 109.77 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.9 -46.48 90.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.087 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.86 88.18 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.259 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -79.52 -47.57 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.746 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.7 m -61.28 -27.41 68.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.771 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.0 m -80.38 -46.2 16.44 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.047 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.47 83.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 76' ' ' ASP . 49.0 mt-10 -76.8 -47.12 22.48 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.195 0.522 . . . . 0.0 111.02 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -57.06 -46.07 82.74 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.706 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 46' ' ' PHE . 98.6 mt -79.23 -45.78 19.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -178.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.29 7.99 10.8 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 72' ' ' GLU . 53.6 t0 48.35 34.43 4.65 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.627 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.481 ' O ' ' O ' ' A' ' 76' ' ' ASP . 64.3 m -47.51 -167.04 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.681 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.57 171.2 11.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.529 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -129.95 42.64 3.25 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.972 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.03 -26.32 67.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.734 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -114.85 141.3 48.1 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.209 0.528 . . . . 0.0 112.38 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -111.42 132.57 54.35 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.187 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.524 ' O ' HG23 ' A' ' 87' ' ' VAL . 78.0 t -47.49 -54.05 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.815 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 42.6 p-10 -54.18 -45.14 72.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.479 -178.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.586 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 98.8 m-20 -59.8 -44.22 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.55 0.691 . . . . 0.0 109.852 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.554 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 11.5 mtp -63.69 -44.79 92.63 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.554 0.692 . . . . 0.0 110.42 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 83' ' ' VAL . 74.1 t -62.1 -49.52 83.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.064 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.532 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 11.4 ptm180 -70.38 -45.34 66.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.908 0.385 . . . . 0.0 111.923 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.532 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 67.9 mt -62.2 -53.71 51.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.045 -178.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 65.02 22.38 12.4 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 90' ' ' ALA . 56.3 t -161.47 91.78 1.46 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 113.79 -1.55 . . . . 0.0 109.43 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.58 -179.82 4.87 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.82 1.68 . . . . 0.0 111.264 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 95.8 m-20 -114.78 127.72 55.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.879 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 t -50.09 -33.27 18.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.461 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 95' ' ' LYS . 17.0 pttp -70.94 -40.82 71.82 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.791 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.635 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 2.5 p -65.28 -47.24 77.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.635 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 93.4 t -63.23 -44.79 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.1 t80 -60.27 -50.68 72.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.001 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 m -57.59 -45.16 85.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.006 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -61.25 -49.32 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.39 0.614 . . . . 0.0 110.119 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.498 ' CG2' HD22 ' A' ' 9' ' ' LEU . 7.2 mm -60.4 -40.94 85.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.899 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.75 -61.32 2.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.823 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -58.95 -46.65 87.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.685 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.5 tp -58.73 -47.24 85.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.678 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -52.35 -46.82 66.29 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.62 0.724 . . . . 0.0 109.63 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.65 -40.3 91.5 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.983 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.3 m -59.68 -40.39 87.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.041 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.0 mt -69.52 -35.44 75.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.39 -49.08 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -65.93 -43.39 88.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.615 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -58.11 -27.49 63.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.332 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.53 17.81 61.43 Favored Glycine 0 N--CA 1.463 0.49 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.8 mt -76.08 -40.48 53.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.452 -0.874 . . . . 0.0 110.904 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 CA--C 1.533 0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.98 -178.811 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ttt -60.14 -43.56 95.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.09 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD22 ' CG2' ' A' ' 101' ' ' ILE . 42.2 mt -61.85 -42.92 99.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.02 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.451 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 56.9 tp -60.55 -45.87 92.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.019 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -59.24 -55.14 38.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.493 1.14 . . . . 0.0 109.779 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -51.19 -61.03 2.49 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.523 -2.126 . . . . 0.0 111.329 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 13.9 p -52.88 -44.3 66.76 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.236 0.541 . . . . 0.0 111.019 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.614 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 73.8 mtp85 -62.98 -41.89 99.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.483 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.3 -24.1 67.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.496 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.437 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.8 mpp? -111.42 -1.94 15.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.712 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 17' ' ' THR . 96.3 m -106.55 -8.32 17.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.14 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -63.25 -55.05 28.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.557 0.694 . . . . 0.0 109.457 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -46.38 -25.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.548 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.487 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 26.0 m-85 -93.87 97.27 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.601 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.629 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.01 -179.71 1.59 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 -179.528 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.607 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 28.6 t-80 61.45 -2.46 0.24 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.807 0.813 . . . . 0.0 108.851 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.629 ' H ' ' C ' ' A' ' 21' ' ' GLU . 99.9 t -126.66 130.58 71.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.932 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -144.43 109.03 4.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.655 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.4 mt -85.4 91.26 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.555 0.693 . . . . 0.0 112.575 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -102.24 -0.24 33.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.85 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.658 HD21 ' H ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -171.5 -178.43 2.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.45 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.437 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 79.9 m-85 -105.53 -10.78 16.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.16 0.505 . . . . 0.0 110.566 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.485 ' HG ' ' H ' ' A' ' 30' ' ' SER . 29.3 p -99.45 -76.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.539 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 22.0 m -58.73 -39.62 81.41 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.842 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.658 ' H ' HD21 ' A' ' 27' ' ' ASN . 36.6 m -73.36 1.37 9.76 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.353 -178.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.437 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 36.5 m95 -114.62 -8.01 12.73 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.786 -179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 t -54.71 -40.97 69.76 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.066 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.1 m -63.2 -23.54 67.48 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.589 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 77.12 -9.4 26.09 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 -178.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.523 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 64.3 mtp -64.62 -27.33 68.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.634 -0.783 . . . . 0.0 110.118 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.38 59.14 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.427 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -44.41 83.97 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.104 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' SG ' ' CG ' ' A' ' 63' ' ' ASN . 11.0 m -66.18 -46.3 77.85 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.078 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB1' ' CD2' ' A' ' 20' ' ' TYR . . . -62.91 -42.94 99.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.535 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.52 -43.06 95.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 0.0 111.005 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mm -65.68 -41.74 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.581 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.487 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 37.8 t-80 -54.24 -48.02 71.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.365 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -44.2 -33.33 1.51 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.185 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -95.69 -27.22 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.082 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -126.12 97.85 34.13 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.463 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.564 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.7 Cg_endo -75.68 -39.17 1.07 Allowed 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.926 1.751 . . . . 0.0 111.68 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.54 6.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.564 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -70.56 -73.08 0.18 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.847 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.411 ' CG ' HD21 ' A' ' 66' ' ' LEU . 15.1 p90 -166.63 160.31 14.92 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.67 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -83.26 97.94 9.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.15 -22.66 63.15 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.903 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.2 -16.87 51.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.44 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -86.14 -19.94 29.38 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.617 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.0 mt -83.1 153.75 24.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 0.0 111.136 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 58' ' ' ALA . 3.4 m-20 -127.03 145.03 52.5 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.16 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -52.21 -11.53 1.11 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.099 1.866 . . . . 0.0 109.829 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.23 -44.5 68.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.612 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -89.16 61.92 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.169 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' ARG . 32.5 ptt180 -73.56 -42.73 61.27 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 79.8 mtp180 -53.21 -47.5 68.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.387 0.613 . . . . 0.0 110.268 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -68.69 -33.11 73.4 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.716 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.589 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 9.0 t30 -63.08 -41.59 99.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.513 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 36.6 m-85 -68.01 -54.76 16.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.419 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.438 ' OG1' HG21 ' A' ' 83' ' ' VAL . 12.0 m -55.92 -43.25 77.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.606 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 50' ' ' PHE . 45.8 tp -59.38 -48.95 79.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.173 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.2 76.83 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.007 -179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.438 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 46.4 m-85 -81.66 -52.73 6.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -60.02 -30.22 69.02 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.91 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.3 m -78.1 -46.86 19.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.285 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.41 73.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -72.22 -49.53 34.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.492 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -59.54 -40.18 86.39 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.408 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.3 mt -78.61 -46.04 20.21 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.28 7.49 7.8 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 72' ' ' GLU . 93.1 m-20 47.02 35.77 3.62 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.013 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 76' ' ' ASP . 95.6 m -48.66 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.577 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' A' ' 72' ' ' GLU . . . -84.54 170.27 13.61 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.411 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -129.8 42.82 3.23 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.83 -26.5 66.95 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.545 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.09 142.3 44.71 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 121.24 0.543 . . . . 0.0 112.143 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.496 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 96.8 mt-10 -114.34 128.89 56.57 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.352 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.438 HG21 ' OG1' ' A' ' 65' ' ' THR . 92.3 t -44.6 -53.01 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.431 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -53.71 -47.11 70.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.524 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -63.81 -42.68 97.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.016 0.436 . . . . 0.0 110.106 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.523 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 8.5 mtp -62.33 -46.02 90.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.571 0.701 . . . . 0.0 109.744 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.6 t -68.3 -42.08 84.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.043 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -71.34 -47.97 53.25 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.8 -50.53 64.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.29 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 63.07 24.84 14.68 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -177.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 90' ' ' ALA . 62.9 t -163.5 89.19 1.2 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 113.807 -1.542 . . . . 0.0 109.584 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.04 -174.45 1.56 Allowed 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.925 1.75 . . . . 0.0 111.372 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 46.1 t0 -122.21 129.38 52.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.31 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 t -49.45 -30.58 8.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.062 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -71.94 -40.51 68.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.559 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.653 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 6.1 p -66.1 -46.99 75.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.201 0.524 . . . . 0.0 110.602 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.653 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 71.3 t -65.92 -44.59 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 15.2 t80 -58.1 -51.03 71.38 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.6 m -58.07 -42.67 86.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.007 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -60.65 -50.71 72.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.39 0.614 . . . . 0.0 110.269 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.411 ' CG2' HD22 ' A' ' 9' ' ' LEU . 30.0 mm -61.86 -41.71 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.119 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -49.93 -63.81 1.0 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.941 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.44 -44.97 89.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.897 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.56 -46.85 87.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.694 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -51.77 -46.26 64.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.613 0.721 . . . . 0.0 109.53 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.141 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.5 p -59.94 -41.37 91.67 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.965 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.6 -40.53 95.14 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.687 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.75 -45.56 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.577 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.01 -50.91 70.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -59.32 -25.04 63.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.309 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.06 20.4 57.58 Favored Glycine 0 N--CA 1.463 0.441 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 113' ' ' LEU . 18.0 mt -74.01 -42.3 60.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.303 -0.949 . . . . 0.0 111.108 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.478 -179.242 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.98 0.419 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -57.98 -46.53 85.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.45 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.445 HD12 ' CE2' ' A' ' 98' ' ' TYR . 95.5 mt -63.44 -44.27 95.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.389 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.17 -48.5 78.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.686 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -57.02 -51.9 67.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.544 1.164 . . . . 0.0 109.928 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -59.12 -60.39 3.95 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.446 -2.161 . . . . 0.0 111.307 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 8.2 p -52.58 -42.94 64.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.12 0.486 . . . . 0.0 111.0 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.616 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 70.6 ttp85 -59.94 -47.26 86.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.997 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.92 -39.73 55.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.407 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.444 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 18.1 mmt -78.77 -27.77 44.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.757 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.64 -16.31 59.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.619 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 20' ' ' TYR . 79.9 ttt180 -59.81 -62.98 1.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.708 0.766 . . . . 0.0 109.386 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.561 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 48.9 p-10 -39.11 -24.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.138 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.561 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 26.1 m-85 -98.12 158.93 15.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.611 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' A' ' 23' ' ' VAL . 80.5 mm-40 -121.18 176.99 5.33 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.791 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER 58.92 3.76 0.35 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.548 ' H ' ' C ' ' A' ' 21' ' ' GLU . 49.6 t -122.28 130.72 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.751 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -145.9 106.01 4.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.876 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.2 mt -82.05 94.86 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 112.321 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -105.99 -22.73 12.82 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.169 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' H ' ' A' ' 29' ' ' SER . 20.0 m120 -155.19 136.8 14.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.359 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.489 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 46.3 m-85 -62.06 -6.11 2.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.151 0.5 . . . . 0.0 110.532 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 27' ' ' ASN . 41.5 t -99.77 -76.29 0.55 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -58.04 -42.11 84.69 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.507 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.7 m -73.02 2.59 6.69 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.306 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.489 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.1 m95 -115.91 -9.72 11.76 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.801 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 p -58.34 -18.27 26.16 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.329 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.4 m -85.74 -23.66 27.23 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.727 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.541 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.41 -12.02 22.13 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 -178.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.473 ' H ' ' C ' ' A' ' 34' ' ' SER . 41.2 mmm -61.76 -28.33 69.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.492 -0.854 . . . . 0.0 110.073 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -49.31 47.33 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.732 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -29.55 64.58 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.923 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 91.3 m -83.36 -45.12 14.1 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.309 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 20' ' ' TYR . . . -62.85 -43.1 99.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.668 -178.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.71 -42.33 97.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.03 0.443 . . . . 0.0 110.928 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 42' ' ' ILE . 9.6 mm -66.72 -40.97 87.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.397 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.528 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 31.7 t-80 -54.21 -49.92 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.371 -177.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HG2' HD21 ' A' ' 19' ' ' ASN . 4.0 mmmt -43.92 -32.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.721 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.8 m-85 -95.07 -29.3 14.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.769 -178.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -123.99 99.63 37.69 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.457 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.9 Cg_endo -74.93 -38.68 1.52 Allowed 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 121.832 1.688 . . . . 0.0 111.811 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.2 2.75 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -62.08 -75.65 0.07 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.033 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 4.7 p90 -166.32 160.22 15.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.601 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -82.67 95.49 7.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 32.9 t80 -61.4 -19.82 62.36 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.938 0.399 . . . . 0.0 111.113 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.51 -14.77 57.97 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.804 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.47 -9.39 32.69 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.463 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 52' ' ' TYR . 85.3 mt -77.84 145.19 36.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.049 0.452 . . . . 0.0 111.004 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.41 169.2 7.43 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.212 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -74.04 -20.91 18.79 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.152 1.901 . . . . 0.0 110.32 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.78 74.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.231 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -77.6 44.5 0.45 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.238 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -65.83 -56.71 10.48 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 8.3 ptm180 -50.07 -46.35 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.193 0.521 . . . . 0.0 110.167 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.512 ' N ' ' CG ' ' A' ' 61' ' ' ARG . 86.6 m-70 -63.52 -31.75 73.0 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.605 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 25.1 t30 -62.32 -40.78 97.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.338 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.522 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 37.9 m-85 -68.76 -53.83 19.54 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.522 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.458 ' OG1' HG21 ' A' ' 83' ' ' VAL . 13.2 m -54.53 -42.18 70.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.4 tp -59.81 -48.55 81.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.028 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.89 79.33 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.984 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.53 -52.23 7.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.148 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.8 t -61.64 -29.1 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -79.27 -45.56 19.51 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.011 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.8 81.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.092 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 76' ' ' ASP . 98.2 mt-10 -74.17 -47.39 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.28 0.562 . . . . 0.0 110.759 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -59.04 -44.23 91.75 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.978 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.1 mt -80.55 -40.0 26.71 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.3 5.38 7.74 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.0 t0 47.44 33.42 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.878 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 76' ' ' ASP . 29.4 p -50.47 -164.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.607 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.03 167.61 16.7 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.157 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -135.44 38.74 2.89 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 2.1 mt -69.98 -17.05 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.503 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.5 mt -110.06 144.78 38.15 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.263 0.554 . . . . 0.0 111.915 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.7 129.77 56.73 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.087 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.458 HG21 ' OG1' ' A' ' 65' ' ' THR . 79.4 t -48.81 -53.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.584 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -54.82 -45.33 74.42 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.237 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 94.1 m-20 -61.06 -44.93 96.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.098 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.522 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 10.2 mtp -62.85 -45.67 91.5 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.289 0.566 . . . . 0.0 110.263 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 83' ' ' VAL . 55.1 t -61.25 -52.45 61.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.845 -1.071 . . . . 0.0 111.944 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.537 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 7.2 ptm180 -67.28 -44.76 78.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.785 0.326 . . . . 0.0 111.722 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.537 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 65.9 mt -62.17 -54.2 44.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.058 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 62.56 22.26 13.18 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -177.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 90' ' ' ALA . 69.9 t -161.0 87.03 1.71 Allowed Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.506 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.52 -172.8 1.14 Allowed 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 121.847 1.698 . . . . 0.0 111.358 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -120.35 129.78 54.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.241 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.3 m -52.16 -31.63 32.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.966 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -71.2 -42.34 69.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.178 0.513 . . . . 0.0 110.058 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.4 m -63.49 -49.72 72.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.303 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 63.4 t -61.46 -43.9 97.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.486 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 14.3 t80 -57.7 -50.78 72.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.143 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.0 m -57.75 -43.69 85.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.903 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.52 -50.22 73.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.446 0.641 . . . . 0.0 110.231 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.97 -40.88 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.114 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.86 -60.49 3.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.863 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -59.56 -47.19 86.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.642 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.24 -46.04 89.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.906 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -51.42 -47.45 63.0 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.66 0.743 . . . . 0.0 109.711 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.1 mtp-105 -60.19 -38.74 84.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.134 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 t -61.15 -41.39 96.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.979 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.84 -36.37 82.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.39 -48.49 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.899 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -66.61 -47.7 71.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -55.81 -28.8 58.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.192 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.3 18.87 56.59 Favored Glycine 0 N--CA 1.465 0.57 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.6 mt -74.37 -42.38 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.464 -0.868 . . . . 0.0 110.866 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.102 -179.267 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.1 t30 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.4 tpt -52.72 -56.33 16.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.568 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.408 HD22 ' CG2' ' A' ' 101' ' ' ILE . 86.0 mt -64.69 -44.32 90.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.23 -47.28 86.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.44 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.5 -50.3 73.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.594 1.188 . . . . 0.0 110.021 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -59.69 -61.85 2.31 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 112.574 -2.103 . . . . 0.0 111.588 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.6 m -52.27 -44.13 64.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.934 0.397 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -57.59 -45.51 85.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.352 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.7 -41.56 61.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.203 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.8 mmt -84.21 -10.32 57.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.775 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.545 ' OG1' HD12 ' A' ' 25' ' ' ILE . 4.0 m -89.42 -17.41 28.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.027 0.442 . . . . 0.0 111.286 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -62.58 -55.16 29.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.574 0.702 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.43 HD22 ' HE2' ' A' ' 44' ' ' LYS . 90.1 m-20 -51.28 -30.0 16.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.701 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.49 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 25.8 m-85 -89.15 149.85 22.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.717 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 23' ' ' VAL . 98.9 mt-10 -119.7 173.65 6.89 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.669 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.616 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 43.4 t-80 63.06 0.81 0.77 Allowed 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.533 ' H ' ' C ' ' A' ' 21' ' ' GLU . 96.0 t -125.76 128.67 72.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.746 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 99.6 m-20 -140.71 108.56 5.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.6 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.545 HD12 ' OG1' ' A' ' 17' ' ' THR . 97.0 mt -84.71 88.87 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.561 0.696 . . . . 0.0 112.632 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -92.93 -24.87 18.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.121 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -147.84 -173.96 4.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.221 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.448 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 55.5 m-85 -105.59 -12.02 16.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.987 0.422 . . . . 0.0 110.469 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.2 m -104.04 -71.84 0.72 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 t -60.41 -42.88 96.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.517 -178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 m -71.32 1.94 5.5 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.216 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.448 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 33.5 m95 -113.85 -6.1 13.23 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.538 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.1 p -62.52 -3.8 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.567 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.467 ' C ' ' H ' ' A' ' 36' ' ' MET . 9.0 t -90.94 -25.78 19.6 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.598 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.8 -15.08 16.08 Favored Glycine 0 CA--C 1.517 0.177 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 58.0 mtp -65.85 -32.25 73.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.64 -0.78 . . . . 0.0 110.091 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.34 -53.43 57.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.431 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -57.45 -44.95 85.16 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.041 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 3.6 m -66.9 -45.59 77.49 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.4 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.33 98.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.372 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.3 tp -65.5 -42.51 92.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.933 0.397 . . . . 0.0 111.157 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.53 -43.07 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.569 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.49 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 48.7 t-80 -54.36 -47.28 72.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.069 0.461 . . . . 0.0 111.499 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HE2' HD22 ' A' ' 19' ' ' ASN . 22.9 tptp -42.62 -34.96 0.97 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.337 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -99.25 -21.89 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 85.6 m-85 -127.64 64.42 63.61 Favored Pre-proline 0 C--O 1.215 -0.736 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.54 -38.54 16.46 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.844 1.696 . . . . 0.0 111.74 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.29 -28.49 66.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' PHE . . . -34.37 -72.63 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.709 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CD2' HD21 ' A' ' 66' ' ' LEU . 5.5 p90 -167.69 162.33 13.94 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.53 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -80.82 89.62 5.83 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -52.68 -23.39 6.55 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.038 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.94 -17.4 50.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -88.54 -17.98 29.1 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -80.63 151.86 28.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.056 0.455 . . . . 0.0 111.533 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -119.46 162.86 30.19 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.194 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -73.94 -18.34 21.66 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.097 1.865 . . . . 0.0 110.585 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.03 92.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.385 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -91.38 51.3 1.88 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.092 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -65.06 -42.23 94.4 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -52.83 -52.87 55.44 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.55 0.69 . . . . 0.0 110.618 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -60.61 -32.49 71.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.229 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.464 ' CG ' ' SG ' ' A' ' 39' ' ' CYS . 4.0 t-20 -63.62 -40.54 97.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.034 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.3 m-85 -65.28 -57.87 7.37 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.033 -0.667 . . . . 0.0 109.358 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.499 ' OG1' HG21 ' A' ' 83' ' ' VAL . 13.6 m -53.49 -43.49 68.26 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.748 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 50' ' ' PHE . 61.3 tp -59.86 -48.16 82.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.078 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.486 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -61.65 -39.12 90.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.047 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.55 -46.72 21.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.945 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.7 p -66.36 -26.32 67.22 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.803 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -76.61 -48.95 17.5 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.443 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.8 76.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.955 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ASP . 81.0 tt0 -71.6 -50.8 27.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.962 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -61.97 -40.84 96.96 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.915 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.5 mt -85.28 -40.15 16.91 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.91 -0.87 10.55 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 77' ' ' CYS . 58.2 t0 49.96 28.99 3.14 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 119.571 -0.852 . . . . 0.0 109.784 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.451 ' O ' ' O ' ' A' ' 76' ' ' ASP . 14.3 p -49.72 -165.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.743 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.88 169.93 12.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -133.92 38.2 3.2 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.002 0.429 . . . . 0.0 109.866 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 8.5 mt -65.24 -19.89 66.17 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.359 -178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.16 143.59 42.95 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.348 0.594 . . . . 0.0 112.039 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 95.8 mt-10 -114.29 134.09 55.2 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.466 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG21 ' OG1' ' A' ' 65' ' ' THR . 84.0 t -51.59 -53.25 17.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.563 -178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -52.25 -45.02 65.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.443 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.6 OUTLIER -64.94 -41.47 95.48 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.19 0.519 . . . . 0.0 110.554 -179.646 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.509 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.0 mtp -61.94 -45.45 93.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.69 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.57 -44.33 93.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.024 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -71.46 -48.8 47.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.8 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.58 -52.47 60.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.138 0.494 . . . . 0.0 110.541 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.11 26.58 15.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -177.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 90' ' ' ALA . 73.5 t -163.34 87.52 1.27 Allowed Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.833 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -72.41 -170.91 0.63 Allowed 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 121.908 1.738 . . . . 0.0 111.348 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.479 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 57.5 t0 -126.23 130.16 50.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.946 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.8 p -47.02 -30.24 2.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.532 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -34.77 60.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.618 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 4.9 p -68.16 -47.86 66.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.905 0.383 . . . . 0.0 110.597 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.618 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 97.2 t -67.13 -43.86 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.228 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.5 t80 -59.95 -51.09 71.17 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.088 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 m -58.69 -43.06 89.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.165 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -62.01 -50.63 71.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.264 0.554 . . . . 0.0 110.204 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.408 ' CG2' HD22 ' A' ' 9' ' ' LEU . 10.5 mm -61.59 -40.82 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.143 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -50.17 -62.26 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.81 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -57.55 -43.83 84.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.693 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.08 -45.38 94.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -53.97 -47.78 71.02 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.482 0.658 . . . . 0.0 109.696 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -60.4 -43.51 96.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.867 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -58.48 -40.94 84.13 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.772 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.42 ' CB ' HG23 ' A' ' 114' ' ' VAL . 95.1 mt -63.64 -39.11 93.52 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.577 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.87 -46.46 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.416 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.67 -47.93 79.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -60.73 -22.57 64.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.85 19.86 72.02 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.03 -43.27 54.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.431 -0.885 . . . . 0.0 111.233 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.42 HG23 ' CB ' ' A' ' 108' ' ' LEU . 67.5 t . . . . . 0 CA--C 1.532 0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 121.031 0.443 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.7 ttt -58.76 -45.88 88.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.197 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.77 -47.64 85.38 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.136 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.85 -44.54 94.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -59.99 -55.47 33.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.713 1.244 . . . . 0.0 109.954 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 75.2 t90 -51.52 -61.98 1.91 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 112.501 -2.136 . . . . 0.0 111.354 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' SG ' HD13 ' A' ' 41' ' ' LEU . 1.4 t -53.28 -44.66 68.43 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.306 0.574 . . . . 0.0 111.22 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -60.62 -35.75 76.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.529 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 12' ' ' TRP . . . -62.36 -17.52 59.17 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.415 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 ptp -120.87 -3.28 9.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.643 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 m -88.54 -13.36 40.34 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.252 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -65.53 -40.72 93.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.677 0.751 . . . . 0.0 109.624 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -57.99 -34.45 70.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.037 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.485 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 69.8 m-85 -93.46 152.39 19.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.796 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 23' ' ' VAL . 94.7 mt-10 -117.82 173.41 6.77 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.666 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.628 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 47.0 t-80 64.31 6.67 3.13 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 122.062 0.935 . . . . 0.0 108.805 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 21' ' ' GLU . 63.9 t -126.14 127.96 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.186 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -140.67 108.56 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.778 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.02 89.0 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.475 0.655 . . . . 0.0 112.483 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.48 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 75.4 mt-30 -99.1 -26.03 14.35 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.102 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 26' ' ' GLN . 12.5 m120 -149.64 -174.91 4.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.354 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.429 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 89.1 m-85 -104.99 -11.51 16.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.218 0.533 . . . . 0.0 110.422 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.9 p -105.41 -72.64 0.7 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.979 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -60.65 -44.04 96.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.333 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -70.17 -0.72 8.35 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.918 -178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.432 ' C ' ' H ' ' A' ' 34' ' ' SER . 29.7 m95 -112.47 -4.16 14.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.016 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -62.24 0.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.214 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 36' ' ' MET . 59.8 p -96.52 -25.04 15.78 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.701 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.69 -13.95 11.18 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 -178.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.502 ' H ' ' C ' ' A' ' 34' ' ' SER . 3.0 mmt -64.7 -27.47 68.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.553 -0.823 . . . . 0.0 110.305 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 -51.93 62.05 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.766 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -58.27 -45.68 87.42 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.099 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.493 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 4.5 m -66.53 -47.06 74.11 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.264 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.485 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -61.64 -41.92 98.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.323 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.502 HD13 ' SG ' ' A' ' 13' ' ' CYS . 55.9 tp -64.31 -43.4 94.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 110.886 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mm -67.21 -43.92 88.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.718 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 46.1 t-80 -57.95 -10.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.547 -178.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -71.65 -39.22 70.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.802 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -104.97 -9.64 17.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.83 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' A' ' 74' ' ' LEU . 88.3 m-85 -129.3 94.59 32.81 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.557 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -75.71 -36.11 2.32 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.924 1.749 . . . . 0.0 111.518 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -69.37 -1.49 8.44 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -61.32 -75.85 0.06 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.894 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.1 p90 -167.19 160.97 14.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.668 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -83.62 93.34 7.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' HA ' HD12 ' A' ' 55' ' ' LEU . 64.9 t80 -59.84 -21.66 61.23 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.928 -179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.77 -8.62 59.73 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -101.67 -14.99 17.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.435 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 52' ' ' TYR . 85.5 mt -74.26 150.4 40.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 110.98 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.02 164.63 16.17 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.06 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.24 -24.35 14.62 Favored 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 122.161 1.907 . . . . 0.0 110.068 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.5 85.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.366 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -80.67 51.47 1.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.579 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 61' ' ' ARG . 25.2 ptt-85 -72.12 -44.93 62.41 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 94.6 mtm-85 -53.26 -46.39 69.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.304 0.573 . . . . 0.0 109.984 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -66.79 -33.25 75.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.493 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 17.1 t-20 -62.49 -41.34 98.74 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.052 0.453 . . . . 0.0 110.475 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.447 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 48.2 m-85 -69.05 -53.4 20.59 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.736 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.483 ' OG1' HG21 ' A' ' 83' ' ' VAL . 15.5 m -56.6 -43.14 79.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.403 HD21 ' CG ' ' A' ' 50' ' ' PHE . 48.7 tp -61.01 -47.77 84.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.096 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.34 78.93 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.94 -0.704 . . . . 0.0 109.969 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 42.2 m-85 -82.38 -51.4 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.975 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.4 p -60.64 -29.86 69.51 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.79 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.416 HG22 HD12 ' A' ' 74' ' ' LEU . 97.7 m -76.64 -49.34 16.44 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.366 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.7 -29.67 70.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 76' ' ' ASP . 44.2 tt0 -70.28 -52.47 22.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.081 0.467 . . . . 0.0 110.53 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -61.69 -37.03 82.64 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.866 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 46' ' ' PHE . 97.7 mt -80.35 -44.81 18.82 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.2 5.54 7.1 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.6 t0 47.1 33.9 2.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.898 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.1 t -48.83 -165.74 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.599 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.02 169.95 13.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.362 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.414 ' NE2' ' OE2' ' A' ' 72' ' ' GLU . 74.4 mt-30 -131.86 42.18 3.19 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.11 -23.53 64.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.399 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -110.46 141.98 42.83 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 121.181 0.515 . . . . 0.0 112.09 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.52 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 68.4 mm-40 -115.07 128.84 56.49 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.547 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG21 ' OG1' ' A' ' 65' ' ' THR . 78.2 t -44.21 -53.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.444 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -53.88 -47.67 70.84 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.331 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -62.68 -43.43 98.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 110.315 -179.529 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.522 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 6.9 mtp -61.96 -45.58 93.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.6 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 83' ' ' VAL . 79.9 t -68.24 -41.64 84.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.9 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -71.96 -48.76 42.87 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.729 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.52 -49.61 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.263 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 56.48 29.22 14.99 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.723 HG12 ' O ' ' A' ' 91' ' ' VAL . 73.4 t -161.01 60.91 1.34 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 113.785 -1.552 . . . . 0.0 109.893 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.502 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.4 Cg_endo -44.99 -179.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 121.965 1.777 . . . . 0.0 111.41 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -118.51 130.61 56.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.317 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 m -49.44 -33.4 14.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.038 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.464 ' O ' ' OG1' ' A' ' 99' ' ' THR . 25.8 ttpp -73.44 -36.69 65.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.55 179.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.4 m -66.43 -51.88 52.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.64 -43.47 94.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 28.6 t80 -60.09 -50.83 72.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.966 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 18.7 m -58.07 -43.27 86.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.029 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -63.0 -51.07 68.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.492 0.663 . . . . 0.0 110.171 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.0 mm -60.26 -40.2 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.961 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -52.68 -59.43 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.653 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.31 -45.6 90.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.551 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.01 -46.35 88.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.621 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -53.26 -47.66 68.9 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.76 0.791 . . . . 0.0 109.687 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -61.24 -43.02 99.55 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.235 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.5 m -58.63 -40.97 84.88 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.089 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.14 -40.11 94.84 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.973 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.95 -45.5 98.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -62.23 -50.4 71.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.3 -17.05 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.235 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.9 20.79 77.51 Favored Glycine 0 N--CA 1.464 0.537 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.8 mt -72.88 -43.4 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.381 -0.91 . . . . 0.0 111.024 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 CA--C 1.535 0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.402 -179.462 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.4 t30 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 121.032 0.444 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 tpt -56.42 -48.78 76.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.198 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 98' ' ' TYR . 91.2 mt -64.76 -43.38 93.49 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.482 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.8 -46.81 87.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.454 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -59.31 -51.14 71.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.525 1.155 . . . . 0.0 109.989 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.404 ' CD1' ' HE1' ' A' ' 16' ' ' MET . 75.5 t90 -57.62 -60.9 2.98 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.382 -2.19 . . . . 0.0 111.241 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' THR . 6.9 m -54.25 -45.24 72.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.123 0.487 . . . . 0.0 110.798 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.599 HH12 ' CZ ' ' A' ' 18' ' ' ARG . 69.3 ttp85 -61.92 -51.07 69.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.694 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.27 26.91 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.289 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.404 ' HE1' ' CD1' ' A' ' 12' ' ' TRP . 13.9 mtm -112.69 -3.6 14.23 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.652 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.525 ' O ' HG22 ' A' ' 17' ' ' THR . 95.3 m -113.98 -6.7 13.15 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.599 ' CZ ' HH12 ' A' ' 14' ' ' ARG . 38.5 ttm180 -63.69 -59.9 3.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -45.05 -20.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.644 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.469 ' N ' ' C ' ' A' ' 18' ' ' ARG . 12.2 m-85 -90.27 104.24 16.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.816 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.617 ' C ' ' H ' ' A' ' 23' ' ' VAL . 80.3 mm-40 -72.17 178.7 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.769 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.552 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 26.2 t-80 63.59 -4.43 0.33 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.617 ' H ' ' C ' ' A' ' 21' ' ' GLU . 58.4 t -128.6 129.86 68.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.939 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -143.44 108.89 5.06 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.642 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 mt -76.52 97.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -109.59 -12.05 14.71 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.754 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 22.2 t-20 -170.17 -178.13 2.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.348 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 64.0 m-85 -99.74 -9.76 22.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.136 0.493 . . . . 0.0 110.344 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 t -107.77 -69.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -58.39 -45.57 88.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.069 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -72.31 1.26 8.09 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.973 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.418 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 32.8 m95 -113.54 -8.58 13.33 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.699 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -54.84 -23.3 17.77 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.666 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 36' ' ' MET . 79.5 p -77.89 -21.08 51.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 75.87 -8.92 19.53 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 -178.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.476 ' H ' ' C ' ' A' ' 34' ' ' SER . 4.8 mmt -65.28 -29.19 69.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.517 -0.842 . . . . 0.0 110.458 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -52.32 65.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.409 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CZ ' ' CD1' ' A' ' 81' ' ' LEU . 27.4 m-85 -57.06 -44.09 82.69 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.972 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.47 ' SG ' ' CG ' ' A' ' 63' ' ' ASN . 3.5 m -71.03 -44.63 65.44 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.46 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.75 95.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.484 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.32 -42.75 99.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.594 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.0 mm -67.76 -42.78 86.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.355 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 29.9 t-80 -57.41 -13.7 3.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.28 -178.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -74.58 -39.27 62.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.802 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.84 -19.35 18.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.71 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CD1' HD13 ' A' ' 74' ' ' LEU . 98.1 m-85 -126.24 99.07 31.55 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.476 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.06 -37.84 1.82 Allowed 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.929 1.753 . . . . 0.0 111.763 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.65 -7.26 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.5 -76.36 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.955 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.509 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 7.3 p90 -168.26 162.11 12.54 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.663 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.87 90.15 6.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.451 ' HA ' HD12 ' A' ' 55' ' ' LEU . 44.6 t80 -58.61 -21.03 52.33 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.06 -13.48 59.27 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.452 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -93.4 -15.39 25.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 52' ' ' TYR . 85.2 mt -76.38 150.78 36.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.61 170.05 8.68 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.165 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -75.05 -11.79 21.4 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.275 1.983 . . . . 0.0 110.171 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.82 -8.38 58.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.931 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -112.15 49.77 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.264 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.4 mtm-85 -69.99 -51.42 32.63 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' HG21 ' A' ' 87' ' ' VAL . 79.1 mtp85 -52.42 -45.04 65.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.335 0.588 . . . . 0.0 110.25 -178.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -66.69 -36.17 81.89 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.47 ' CG ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 t-20 -62.45 -42.75 99.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.455 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.1 m-85 -67.43 -54.26 21.87 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.81 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.0 m -56.37 -44.41 80.14 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.371 -0.532 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.442 HD21 ' CG ' ' A' ' 50' ' ' PHE . 58.2 tp -61.34 -46.01 92.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.236 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.74 89.31 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.138 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 40.2 m-85 -80.39 -48.08 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.985 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -61.93 -29.09 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.009 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 28.8 m -79.03 -45.93 19.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.254 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.77 81.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.006 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 76' ' ' ASP . 95.7 mt-10 -72.18 -47.36 51.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.245 0.545 . . . . 0.0 110.841 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.76 -41.98 98.38 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.838 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.509 HD13 ' CD1' ' A' ' 46' ' ' PHE . 94.1 mt -78.37 -40.21 36.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.19 7.73 5.05 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 72' ' ' GLU . 89.0 m-20 45.6 38.96 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.015 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.476 ' O ' ' O ' ' A' ' 76' ' ' ASP . 15.1 p -47.72 -166.39 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.648 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.15 169.8 13.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.443 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -126.15 68.98 1.2 Allowed 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mt -101.94 -22.6 14.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.399 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.414 ' CD1' ' CZ ' ' A' ' 38' ' ' PHE . 22.2 mt -113.49 137.05 52.1 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.181 0.515 . . . . 0.0 112.024 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.65 128.54 56.42 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.064 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 87' ' ' VAL . 94.0 t -47.76 -52.43 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.865 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -54.61 -45.92 73.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.399 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.22 -42.94 99.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.996 0.427 . . . . 0.0 110.391 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.455 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.6 mtp -61.47 -42.53 98.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.501 0.667 . . . . 0.0 110.082 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 83' ' ' VAL . 68.9 t -63.22 -43.81 98.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.213 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -73.28 -47.82 39.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.793 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 54.6 mt -53.02 -62.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 71.63 17.8 5.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 -177.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 90' ' ' ALA . 55.1 t -163.77 91.98 1.1 Allowed Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.31 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -70.73 176.37 7.59 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.88 1.72 . . . . 0.0 111.747 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 97.1 m-20 -113.68 128.5 56.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.192 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.3 m -50.35 -33.9 22.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.221 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -68.29 -42.39 79.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.827 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 1.7 p -65.41 -46.92 78.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.604 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.642 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 94.5 t -62.86 -45.14 99.6 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CE2' HD12 ' A' ' 9' ' ' LEU . 19.1 t80 -61.1 -51.21 70.08 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.165 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 18.8 m -57.86 -42.66 84.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.854 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.09 -50.22 74.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.448 0.642 . . . . 0.0 110.159 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.9 mm -61.02 -41.04 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -51.96 -60.86 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.752 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 99' ' ' THR . 4.7 mp0 -58.67 -45.42 89.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.753 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.74 -45.35 92.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.772 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -53.02 -46.88 68.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.784 0.802 . . . . 0.0 109.412 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.13 -42.48 98.62 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.866 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.3 p -60.2 -36.92 78.74 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.938 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HB3' HG23 ' A' ' 114' ' ' VAL . 95.7 mt -64.22 -41.37 97.06 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.118 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.75 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -53.53 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -55.3 -19.22 7.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.241 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.23 20.69 71.96 Favored Glycine 0 N--CA 1.462 0.375 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.77 -46.79 28.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.375 -0.912 . . . . 0.0 111.143 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 108' ' ' LEU . 2.3 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.819 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.5 m120 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.4 tpt -60.71 -48.41 81.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.397 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 98' ' ' TYR . 94.8 mt -65.7 -40.57 92.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.283 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 10' ' ' LEU . 39.8 tp -62.47 -49.36 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.808 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.0 -54.28 48.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.637 1.208 . . . . 0.0 110.245 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -53.73 -60.98 2.61 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.323 -2.217 . . . . 0.0 111.566 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.599 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 15.6 p -53.97 -44.49 70.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.028 0.442 . . . . 0.0 111.14 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.599 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 58.8 ttt85 -60.38 -52.01 67.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.633 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.27 -18.6 0.99 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.508 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.4 mtm -113.9 -0.78 14.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.911 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -103.66 -10.03 18.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.083 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -65.86 -50.58 64.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.514 0.673 . . . . 0.0 109.754 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -48.03 -27.53 2.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.696 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CD2' ' HB1' ' A' ' 40' ' ' ALA . 43.9 m-85 -87.96 150.66 23.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.659 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 22' ' ' HIS . 28.1 tt0 -114.77 167.92 10.35 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.73 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.608 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 50.1 t-80 66.17 4.06 2.96 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.436 ' H ' ' C ' ' A' ' 21' ' ' GLU . 99.0 t -126.09 128.39 71.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.18 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OG ' ' A' ' 31' ' ' SER . 66.6 t0 -143.19 108.19 4.94 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.6 mt -79.98 98.04 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -112.34 -6.48 14.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.002 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.649 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -177.4 137.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.455 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 62.7 m-85 -60.5 -7.71 2.3 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.286 0.565 . . . . 0.0 110.672 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 27' ' ' ASN . 60.5 p -97.39 -77.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -58.27 -41.73 84.95 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.495 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 43.0 t -73.57 3.78 5.78 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.697 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 37.4 m95 -115.25 -9.53 12.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.681 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.0 m -54.28 -38.8 66.28 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.264 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -65.67 -23.81 66.87 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 81.36 -7.42 61.01 Favored Glycine 0 N--CA 1.458 0.143 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.3 mmm -61.57 -29.1 69.8 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.609 -0.795 . . . . 0.0 110.537 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.81 -50.98 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.751 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -57.87 -43.34 85.93 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.134 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 16.1 p -70.98 -45.9 63.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.031 0.443 . . . . 0.0 111.333 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.609 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -61.95 -43.6 98.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.755 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.78 -41.89 95.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.016 0.436 . . . . 0.0 111.029 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 42' ' ' ILE . 9.4 mm -64.94 -40.06 87.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.487 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -54.87 -48.44 72.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.554 -177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -33.31 1.54 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.702 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -95.38 -27.03 15.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.791 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.4 m-85 -126.93 99.87 28.38 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.485 -178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.41 -35.33 3.86 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.798 1.665 . . . . 0.0 111.757 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.96 -16.41 63.85 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.29 -73.68 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.264 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -169.93 164.52 9.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.667 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -86.47 105.44 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -63.64 -19.08 64.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.61 -22.6 34.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.671 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -85.11 -16.53 40.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.1 mt -82.96 149.26 27.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.037 0.446 . . . . 0.0 111.128 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.75 165.72 19.08 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.238 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.15 -12.88 21.22 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.189 1.926 . . . . 0.0 110.181 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.15 -9.01 59.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.17 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -113.23 55.16 0.71 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.088 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 60' ' ' ARG . 85.1 mtm-85 -70.5 -47.86 58.45 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -54.62 -47.81 72.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.294 0.568 . . . . 0.0 110.473 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -65.08 -35.01 79.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.495 HD21 ' CB ' ' A' ' 39' ' ' CYS . 9.9 t-20 -63.55 -43.55 96.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 47.9 m-85 -65.07 -54.56 28.15 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.67 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -56.32 -43.45 79.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.7 tp -62.24 -45.94 91.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.131 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.17 96.28 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.043 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -78.63 -52.08 8.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.944 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.5 p -59.75 -27.18 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.7 m -78.8 -45.03 21.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.28 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.68 78.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.004 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' A' ' 76' ' ' ASP . 96.8 mt-10 -71.34 -52.01 21.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.088 0.471 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -60.04 -40.05 88.05 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.005 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.408 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.9 mt -83.95 -36.35 23.33 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.23 2.29 5.77 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 72' ' ' GLU . 91.4 m-20 47.86 37.81 7.94 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.0 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 76' ' ' ASP . 20.1 p -47.36 -168.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.652 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.9 171.29 12.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.342 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -123.99 56.58 1.24 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.89 -25.28 19.91 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.641 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -118.36 137.5 53.06 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.142 0.496 . . . . 0.0 112.005 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -109.58 143.91 38.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.192 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 87' ' ' VAL . 76.8 t -57.59 -52.7 54.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.677 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -55.88 -45.98 78.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.178 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -62.29 -45.04 95.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.016 0.436 . . . . 0.0 110.303 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.444 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.7 mtp -60.98 -42.27 98.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.708 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 83' ' ' VAL . 62.3 t -66.75 -45.37 88.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.206 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.85 -48.07 64.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.904 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.9 mt -62.5 -53.85 48.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.085 0.469 . . . . 0.0 110.461 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 61.27 24.77 14.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 90' ' ' ALA . 52.9 t -162.51 90.12 1.33 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 113.791 -1.55 . . . . 0.0 109.535 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -73.09 -175.16 1.82 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.956 1.771 . . . . 0.0 111.353 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -119.21 131.29 55.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.319 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.5 p -48.37 -32.42 7.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.883 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -76.76 -32.65 57.87 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.381 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -67.61 -52.28 40.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.481 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.35 -43.85 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.9 t80 -59.41 -51.48 69.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.071 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.1 m -58.73 -44.25 90.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.807 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -61.01 -50.39 73.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.45 0.643 . . . . 0.0 109.957 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.2 mm -60.61 -39.69 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.897 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -52.49 -59.49 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.84 -45.88 91.04 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.627 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 41.1 tp -61.06 -44.29 97.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.785 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 90.0 t80 -54.42 -48.25 71.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.629 0.728 . . . . 0.0 109.741 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.8 mtp-105 -60.57 -42.9 97.59 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.023 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.6 m -57.96 -41.1 82.18 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.868 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.402 ' HB3' HG23 ' A' ' 114' ' ' VAL . 95.6 mt -62.27 -41.11 98.18 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.96 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.12 -46.57 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.759 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.56 -48.23 81.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.9 -14.57 54.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.43 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.08 21.89 79.0 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.5 mt -72.35 -46.27 56.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.459 -0.87 . . . . 0.0 110.961 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.402 HG23 ' HB3' ' A' ' 108' ' ' LEU . 3.3 t . . . . . 0 N--CA 1.465 0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.313 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 . . . . . 0 N--CA 1.455 -0.194 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -61.08 -43.76 98.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.3 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.78 -45.01 91.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.74 -45.84 92.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.11 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.24 -53.04 62.37 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 122.485 1.136 . . . . 0.0 109.8 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -54.17 -59.23 4.94 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 112.749 -2.023 . . . . 0.0 111.283 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' THR . 10.0 t -55.75 -40.59 72.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.114 0.483 . . . . 0.0 110.972 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -61.36 -45.13 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.551 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -28.38 61.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.848 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.67 -7.67 13.83 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.837 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' THR . 52.2 m -99.46 -11.34 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.634 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -69.54 -46.08 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 109.105 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 47.0 p-10 -48.12 -25.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.949 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 59.3 m-85 -96.34 104.48 16.45 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 23' ' ' VAL . 13.9 pt-20 -66.63 179.6 1.02 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.321 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.58 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 45.8 t-80 62.17 -0.23 0.5 Allowed 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.541 ' H ' ' C ' ' A' ' 21' ' ' GLU . 49.0 t -128.29 129.17 69.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.012 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -144.85 109.48 4.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.536 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.415 HD11 ' SG ' ' A' ' 13' ' ' CYS . 83.9 mt -72.93 101.46 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -105.44 -33.3 8.19 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.048 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' H ' ' HB3' ' A' ' 31' ' ' SER . 78.3 m-20 -158.98 144.34 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.896 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.472 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 43.9 m-85 -61.44 -8.17 3.83 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.832 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -99.09 -76.82 0.53 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.6 p -60.99 -37.67 83.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.429 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.483 ' HG ' ' HD1' ' A' ' 32' ' ' TRP . 1.1 p -72.94 -0.11 12.74 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.075 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.483 ' HD1' ' HG ' ' A' ' 31' ' ' SER . 37.6 m95 -115.54 -8.62 12.13 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.374 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 t -58.5 -17.2 19.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.434 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 36' ' ' MET . 54.2 p -86.03 -21.6 27.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.542 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.9 -11.51 27.63 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.434 ' H ' ' C ' ' A' ' 34' ' ' SER . 24.4 mmm -61.99 -32.6 73.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.691 -0.755 . . . . 0.0 110.214 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.23 -51.7 62.38 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.853 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.47 -45.31 84.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.722 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 14.9 p -69.71 -45.04 69.13 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.632 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.573 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.34 -42.15 99.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 tp -64.04 -42.54 97.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.743 0.306 . . . . 0.0 110.97 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 42' ' ' ILE . 28.2 mm -65.16 -42.9 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.602 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 39.9 t-80 -57.03 -41.02 77.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -37.93 29.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.853 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -88.97 -26.83 21.29 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.455 ' CG ' HD13 ' A' ' 74' ' ' LEU . 44.0 m-85 -128.66 97.28 27.88 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.55 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.6 Cg_endo -75.06 -38.9 1.36 Allowed 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.074 1.849 . . . . 0.0 112.05 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -66.78 -0.87 3.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.515 0.674 . . . . 0.0 109.378 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -64.12 -64.82 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.306 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.485 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 13.1 p90 -171.38 163.12 6.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.026 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -86.62 94.04 9.36 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.411 ' HA ' HD12 ' A' ' 55' ' ' LEU . 34.9 t80 -56.67 -23.21 40.11 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.92 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.31 -17.01 53.31 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.22 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -86.19 -18.0 33.36 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.073 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 52' ' ' TYR . 72.0 mt -68.9 -173.48 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.998 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.33 164.93 19.7 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.73 -13.12 20.03 Favored 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 121.648 1.565 . . . . 0.0 109.961 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.82 -9.0 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.387 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -116.05 45.2 1.79 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.106 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -64.88 -47.03 79.33 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -52.33 -46.42 66.05 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.314 0.578 . . . . 0.0 110.055 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -67.55 -34.58 77.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.233 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 49.0 t30 -61.42 -42.67 99.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.978 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 55.5 m-85 -66.83 -55.71 13.64 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.534 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.408 ' OG1' HG21 ' A' ' 83' ' ' VAL . 17.3 m -53.83 -42.55 68.59 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 70' ' ' THR . 65.5 tp -60.95 -48.83 80.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.58 81.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.294 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -79.21 -46.74 17.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.0 t -63.34 -29.73 70.99 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.046 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 21.2 m -76.25 -47.69 22.93 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.25 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.7 -34.91 78.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.9 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 93.1 mt-10 -71.78 -49.71 36.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 111.002 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.83 -41.11 95.14 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.961 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.455 HD13 ' CG ' ' A' ' 46' ' ' PHE . 94.8 mt -79.93 -43.69 21.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.45 8.31 7.74 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 29.3 t0 45.99 40.14 6.57 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.675 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.9 t -50.95 -164.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.539 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.58 170.77 10.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.487 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -128.32 41.33 3.51 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.759 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.34 -26.68 66.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.525 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mt -117.27 140.77 49.13 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.276 0.56 . . . . 0.0 111.828 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -108.72 142.77 38.75 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.255 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.431 ' O ' HG23 ' A' ' 87' ' ' VAL . 75.3 t -59.06 -52.03 65.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.644 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 4.1 p-10 -55.05 -46.3 75.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.056 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.64 -43.25 99.2 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.636 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.509 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.6 mtp -62.63 -41.63 99.13 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' VAL . 77.9 t -67.4 -43.21 87.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.072 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.74 -46.54 52.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.731 0.301 . . . . 0.0 111.522 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.65 -52.15 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.457 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.09 24.5 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -177.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 90' ' ' ALA . 70.2 t -162.13 88.68 1.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 113.767 -1.56 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.46 -167.36 0.33 Allowed 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.821 1.681 . . . . 0.0 111.327 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -128.05 132.84 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.091 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.4 t -49.46 -32.03 11.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.907 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -77.91 -32.66 51.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.78 0.324 . . . . 0.0 110.533 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.5 m -68.01 -52.69 32.74 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.312 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.62 -43.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 19.0 t80 -57.86 -50.7 72.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.281 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.9 m -58.23 -44.39 88.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.893 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.61 -49.64 74.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.289 0.566 . . . . 0.0 109.935 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.7 mm -60.32 -41.01 85.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.892 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.56 -62.29 1.68 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.305 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -57.88 -46.97 84.09 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.22 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.37 -45.36 93.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.69 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.34 -49.24 70.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.495 0.664 . . . . 0.0 109.832 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -58.49 -43.89 89.2 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.878 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.6 m -57.31 -39.36 75.62 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.826 0.346 . . . . 0.0 110.293 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.65 -41.41 98.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.29 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.79 -46.1 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.93 -49.09 76.15 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.346 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.19 -18.02 56.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.174 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.77 20.83 75.76 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 40.3 mt -74.38 -44.38 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.979 0.419 . . . . 0.0 110.945 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.467 0.414 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.158 -179.373 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 7' ' ' ASN . 1.2 m120 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 tpt -61.92 -47.24 85.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.515 HD12 ' CE2' ' A' ' 98' ' ' TYR . 92.1 mt -67.06 -40.94 87.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.34 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.19 -48.22 82.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.551 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.93 -52.26 66.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.555 1.169 . . . . 0.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.402 ' O ' ' CE ' ' A' ' 16' ' ' MET . 78.9 t90 -55.49 -59.98 4.06 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 112.472 -2.149 . . . . 0.0 111.533 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -54.61 -45.9 73.76 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.985 0.422 . . . . 0.0 110.706 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -58.92 -46.98 86.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.478 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -27.49 62.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.511 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.483 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.7 mpp? -104.25 0.4 29.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.733 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 17' ' ' THR . 39.5 m -103.43 -7.94 20.56 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.324 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 13.1 ptm180 -68.19 -42.53 79.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.622 0.725 . . . . 0.0 109.251 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.48 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 90.6 m-20 -52.68 -30.88 34.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.448 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' OH ' ' C ' ' A' ' 43' ' ' HIS . 81.8 m-85 -89.62 153.12 20.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.694 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 54.6 mp0 -116.94 169.81 9.11 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.476 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.649 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 32.2 t-80 64.67 3.91 2.15 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.461 ' H ' ' C ' ' A' ' 21' ' ' GLU . 85.9 t -123.1 126.82 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.248 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -139.96 105.75 5.16 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.659 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.2 mt -85.65 89.89 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -104.94 1.24 28.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.862 178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 28' ' ' PHE . 13.4 t-20 -170.08 179.29 3.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.246 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.424 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 54.5 m-85 -104.43 -10.43 17.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.949 0.404 . . . . 0.0 110.452 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 30' ' ' SER . 95.6 p -102.41 -69.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' ' OG ' ' A' ' 29' ' ' SER . 36.8 t -59.3 -40.9 87.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.645 -177.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -75.91 4.41 8.25 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.439 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.406 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 41.8 m95 -116.66 -11.24 11.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.748 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.437 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 67.3 m -55.5 -36.82 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.2 -178.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -69.54 -25.95 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 82.5 -8.56 61.42 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 108.756 -1.737 . . . . 0.0 108.756 -177.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.9 mmm -60.72 -29.86 69.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.609 -0.796 . . . . 0.0 110.269 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.71 -50.43 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.917 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.58 -43.74 84.81 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.26 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 19.4 p -72.89 -45.52 57.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 111.224 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.59 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.43 -42.72 99.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.634 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.61 -45.25 93.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.61 -42.92 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.746 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.419 ' C ' ' OH ' ' A' ' 20' ' ' TYR . 42.4 t-80 -57.51 -8.55 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HZ3' ' HG3' ' A' ' 16' ' ' MET . 0.2 OUTLIER -78.6 -37.41 42.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.536 -179.113 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -98.95 -17.7 18.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.255 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.444 ' CD1' HD13 ' A' ' 74' ' ' LEU . 98.6 m-85 -126.58 98.63 31.36 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.35 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -74.77 -37.57 2.13 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.844 1.696 . . . . 0.0 111.835 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.13 -0.07 5.41 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -60.12 -77.49 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.537 -1.211 . . . . 0.0 111.956 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CG ' HD21 ' A' ' 66' ' ' LEU . 8.1 p90 -166.65 159.96 14.57 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.545 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -81.81 92.6 6.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.512 ' HD1' ' HG ' ' A' ' 39' ' ' CYS . 64.5 t80 -56.08 -22.04 25.56 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.0 -22.79 36.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -81.05 -22.67 39.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -81.07 153.84 27.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.046 0.45 . . . . 0.0 111.22 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.12 169.11 9.51 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.291 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.32 -14.87 20.33 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.171 1.914 . . . . 0.0 110.176 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.14 -43.5 78.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.272 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -84.55 69.48 10.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.365 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 33' ' ' SER . 81.3 mtp180 -75.83 -51.21 13.07 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -50.67 -46.76 58.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.783 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -67.03 -36.57 82.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.731 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 18.2 t-20 -61.89 -43.83 98.04 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.048 0.451 . . . . 0.0 110.662 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.487 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 45.6 m-85 -68.92 -54.08 17.48 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.788 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.491 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.5 m -52.72 -43.15 65.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 50' ' ' PHE . 62.5 tp -59.81 -47.77 84.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.987 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -37.87 84.47 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.04 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -78.81 -53.05 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -60.94 -27.89 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.9 m -77.8 -45.33 24.79 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.265 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.71 78.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.972 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 96.6 mt-10 -73.8 -50.64 19.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.159 0.504 . . . . 0.0 111.002 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -58.74 -43.15 90.17 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.001 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.9 mt -77.73 -45.98 23.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.69 7.19 9.42 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 61.8 t0 45.77 38.78 4.57 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.865 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.25 -163.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.509 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.63 170.64 12.35 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.353 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -138.75 41.03 2.17 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.068 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 mt -65.63 -19.23 65.83 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.224 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mt -113.36 146.74 38.97 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.204 0.526 . . . . 0.0 112.174 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -114.53 141.77 47.28 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.161 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.491 HG21 ' OG1' ' A' ' 65' ' ' THR . 67.1 t -56.3 -52.43 51.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.274 -178.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -55.22 -46.28 75.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.037 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.13 -44.6 95.14 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.47 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 6.1 mtp -61.99 -44.83 95.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.336 0.589 . . . . 0.0 109.656 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.65 -42.29 80.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.969 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -70.03 -48.04 59.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.711 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.2 -50.78 64.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.184 0.516 . . . . 0.0 110.375 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 57.73 28.24 15.57 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 91' ' ' VAL . 79.7 t -162.71 60.66 1.04 Allowed Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.751 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.495 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.3 Cg_endo -46.42 -176.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.979 1.786 . . . . 0.0 111.144 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -118.25 130.18 55.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.425 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 t -49.53 -32.96 13.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.782 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.09 -36.12 61.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.5 m -65.38 -51.31 61.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.514 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.35 -43.6 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.515 ' CE2' HD12 ' A' ' 9' ' ' LEU . 29.2 t80 -58.85 -50.59 73.41 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.037 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 m -57.93 -44.78 87.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.015 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.9 -49.83 75.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.433 0.635 . . . . 0.0 110.105 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.438 ' CG2' HD22 ' A' ' 9' ' ' LEU . 7.3 mm -60.2 -40.83 84.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.933 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -52.4 -59.49 4.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.759 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.1 -45.75 90.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.5 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.38 -47.63 83.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.782 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -51.95 -47.15 64.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.782 0.801 . . . . 0.0 109.547 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.47 -39.45 90.94 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.094 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 52.2 m -59.27 -39.79 84.0 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.012 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 40.3 mt -67.26 -37.51 83.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.96 -47.9 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -65.41 -49.16 70.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -55.59 -29.84 59.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.149 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.99 18.52 55.85 Favored Glycine 0 N--CA 1.463 0.496 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.44 -44.85 64.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.521 -0.839 . . . . 0.0 111.107 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.4 t . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.401 -179.408 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.063 0.459 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.8 tpt -57.49 -49.96 74.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.251 -179.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.92 -45.19 90.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.33 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.98 -45.53 94.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.251 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -59.06 -51.06 71.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.587 1.184 . . . . 0.0 109.939 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -58.76 -62.86 1.56 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.519 -2.128 . . . . 0.0 111.291 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.4 m -52.31 -48.62 65.3 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.736 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -59.32 -51.15 71.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.552 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.88 -22.09 3.5 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.289 -179.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -108.31 -4.4 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.705 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 m -99.36 -8.23 25.12 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.234 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -64.54 -48.62 74.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.607 0.718 . . . . 0.0 109.588 179.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -51.78 -27.92 13.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.46 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -89.66 147.32 23.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.472 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 23' ' ' VAL . 96.8 mt-10 -114.4 173.65 6.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.883 -179.4 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.643 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 39.3 t-80 61.82 4.94 1.2 Allowed 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -179.517 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 21' ' ' GLU . 97.5 t -127.96 131.74 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.008 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 37.1 p-10 -145.07 109.63 4.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.687 179.221 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.3 mt -81.03 92.82 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 121.347 0.594 . . . . 0.0 112.419 -178.045 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -97.04 -21.13 17.57 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.978 178.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.514 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 13.4 t-20 -158.1 -174.1 4.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.207 179.237 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.514 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 65.8 m-85 -103.47 -11.66 17.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.102 0.477 . . . . 0.0 110.436 -179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.0 t -103.05 -76.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.678 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 m -59.5 -42.48 92.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.203 -178.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -67.6 -1.85 5.77 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.194 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 27.6 m95 -111.82 -4.19 14.69 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.369 -179.464 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.5 t -57.56 -17.4 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.592 -178.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 36' ' ' MET . 74.2 m -81.6 -19.74 41.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.265 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.504 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 74.33 -12.07 6.03 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -178.4 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.607 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 26.7 mtt -66.19 -31.8 72.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.711 -0.744 . . . . 0.0 110.591 179.123 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.41 58.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.368 -179.183 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -57.06 -45.17 83.43 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.176 -178.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 1.3 m -66.77 -45.0 79.89 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.544 -0.463 . . . . 0.0 111.408 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.22 99.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.469 -178.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.15 -43.67 91.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 -179.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.7 mm -64.97 -42.36 94.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.646 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -53.65 -47.47 70.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.389 . . . . 0.0 111.334 -178.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -43.54 -33.92 1.25 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.431 0.634 . . . . 0.0 110.903 -178.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -92.35 -25.59 18.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.604 ' HB3' ' HB2' ' A' ' 49' ' ' ALA . 59.0 m-85 -126.08 101.33 28.98 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.392 -177.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -78.09 -39.01 0.51 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.7 1.6 . . . . 0.0 111.626 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -68.08 -34.8 77.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.37 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 46' ' ' PHE . . . -34.16 -65.75 0.19 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.754 -179.421 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -170.03 162.1 8.93 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.455 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.79 108.94 20.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 30.8 t80 -66.16 -16.29 63.84 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.33 -20.78 39.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -16.03 51.48 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.747 -179.386 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.25 176.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.073 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -156.16 142.01 12.83 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.056 -179.445 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.82 -12.79 2.12 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 122.017 1.811 . . . . 0.0 109.906 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 56' ' ' ASP . . . -86.82 -10.22 54.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.057 -179.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -110.57 45.47 1.13 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.2 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -67.13 -52.24 44.21 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' A' ' 61' ' ' ARG . 17.4 mtp180 -52.26 -46.84 65.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.458 0.647 . . . . 0.0 109.689 -178.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -66.81 -33.43 75.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.435 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.545 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 25.4 t-20 -61.55 -41.99 98.19 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.506 -179.823 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.501 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 63.2 m-85 -69.0 -53.99 17.57 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.699 179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.5 m -56.46 -43.42 79.53 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.59 -47.47 85.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.173 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.9 90.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.063 -179.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 42.4 m-85 -79.62 -48.37 13.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.181 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -64.48 -27.74 69.19 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.48 HG21 ' HB1' ' A' ' 49' ' ' ALA . 69.1 m -78.36 -47.4 17.75 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.249 178.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.86 -34.06 77.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 82.4 tt0 -71.47 -49.24 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -63.32 -40.28 96.89 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.803 -178.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 46' ' ' PHE . 90.2 mt -84.52 -30.98 24.7 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.83 2.2 3.68 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -177.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 98.7 m-20 46.02 34.49 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.92 179.48 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.0 t -52.32 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.487 -178.684 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.411 ' HB2' ' OE1' ' A' ' 103' ' ' GLU . . . -87.78 168.67 12.74 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.337 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -132.7 42.02 3.12 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 1.6 mt -71.16 -17.41 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.369 -178.345 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.95 137.83 51.75 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.122 0.487 . . . . 0.0 111.888 -178.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -108.58 135.2 50.22 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.388 178.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 87' ' ' VAL . 69.8 t -51.99 -52.22 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.624 -178.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.55 -45.71 77.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.292 -178.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.72 -43.27 99.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.973 0.416 . . . . 0.0 110.293 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.501 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 6.1 mtp -62.24 -42.85 99.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.376 0.608 . . . . 0.0 110.25 179.081 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 83' ' ' VAL . 68.0 t -65.02 -42.77 95.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.97 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.36 -47.48 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.847 0.355 . . . . 0.0 111.837 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.66 -51.18 63.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.469 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 58.9 26.23 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.39 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 90' ' ' ALA . 69.5 t -162.39 90.13 1.35 Allowed Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.602 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -73.24 -170.94 0.71 Allowed 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 121.934 1.756 . . . . 0.0 111.352 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -123.15 131.48 53.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.308 179.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 t -51.94 -34.14 40.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.782 -178.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -71.14 -41.77 70.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.583 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.6 m -63.18 -51.01 68.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.483 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.44 -45.04 93.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.511 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 24.0 t80 -57.49 -50.47 72.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.085 179.753 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.3 m -57.8 -43.81 85.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.105 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -61.14 -50.6 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.316 0.579 . . . . 0.0 110.349 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.3 mm -60.78 -40.91 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.148 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -50.03 -63.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.411 ' OE1' ' HB2' ' A' ' 78' ' ' ALA . 75.8 tt0 -57.49 -44.27 84.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.798 -178.637 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.49 -47.53 83.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -52.58 -46.73 67.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.546 0.689 . . . . 0.0 109.451 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.04 -42.99 99.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.012 -178.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.539 ' OG ' ' NZ ' ' A' ' 111' ' ' LYS . 34.5 t -60.79 -41.17 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.868 179.052 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.09 -39.23 91.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.23 -46.22 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.449 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.01 -53.01 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.273 179.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.539 ' NZ ' ' OG ' ' A' ' 107' ' ' SER . 63.2 mttp -51.72 -28.18 14.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.333 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.51 18.18 59.1 Favored Glycine 0 N--CA 1.463 0.442 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 27.9 mt -75.14 -54.33 7.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.365 -0.917 . . . . 0.0 110.952 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.539 -179.578 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.196 0.522 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.435 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.2 tmt? -61.64 -47.97 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.357 179.56 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.4 HD22 ' CG2' ' A' ' 101' ' ' ILE . 81.5 mt -65.27 -43.69 90.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.514 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 tp -62.2 -47.28 85.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.619 -179.29 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.08 -53.91 52.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.606 1.193 . . . . 0.0 109.738 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.59 -60.61 3.18 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 112.559 -2.109 . . . . 0.0 111.274 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.9 t -52.59 -45.72 66.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.319 0.58 . . . . 0.0 110.998 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -61.14 -52.86 63.08 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.407 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.27 -17.91 0.3 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.36 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.8 mtt -113.06 -3.33 14.01 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.91 -11.16 27.11 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.179 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -67.46 -41.73 84.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.742 0.782 . . . . 0.0 109.701 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -53.08 -31.01 39.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.716 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.43 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 65.0 m-85 -107.75 106.1 16.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.033 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.595 ' C ' ' H ' ' A' ' 23' ' ' VAL . 57.0 mp0 -68.19 -172.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 -179.68 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.588 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 44.9 t-80 59.72 -0.1 0.22 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.745 0.783 . . . . 0.0 108.978 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.595 ' H ' ' C ' ' A' ' 21' ' ' GLU . 93.8 t -125.5 128.3 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.855 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -143.98 108.53 4.86 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.51 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.2 mt -79.17 97.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -111.85 -24.84 9.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.843 178.397 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' A' ' 29' ' ' SER . 18.7 t-20 -157.78 137.75 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.328 178.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 42.0 m-85 -61.42 -4.79 1.4 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.213 0.53 . . . . 0.0 110.651 -179.132 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 30' ' ' SER . 90.6 p -101.89 -74.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.522 ' N ' ' OG ' ' A' ' 29' ' ' SER . 62.0 p -58.08 -43.29 86.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.699 -177.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.1 m -72.22 1.71 7.17 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.228 -178.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.47 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 36.4 m95 -116.39 -8.59 11.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.762 -179.488 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.5 p -58.68 -18.97 35.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.232 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 36' ' ' MET . 88.8 p -86.42 -22.67 26.42 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.489 -179.342 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.68 -11.22 34.34 Favored Glycine 0 N--CA 1.459 0.171 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 -178.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.453 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.8 mmm -61.28 -30.03 70.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.496 -0.852 . . . . 0.0 110.304 179.49 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.39 -51.07 56.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.871 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.74 -41.96 78.44 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.342 -178.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 17.7 p -75.46 -43.39 49.77 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.283 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.559 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -60.19 -42.77 95.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.586 -178.658 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.64 -43.85 95.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.045 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.6 mm -66.29 -44.78 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.792 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 15.8 t-80 -56.2 -13.61 2.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.02 0.438 . . . . 0.0 111.386 -178.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -74.42 -39.56 62.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.464 -178.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -100.03 -15.01 18.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.85 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.52 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.6 m-85 -125.84 98.1 34.47 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.331 -178.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.23 -38.18 1.61 Allowed 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.755 1.637 . . . . 0.0 111.755 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.6 -9.6 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.803 0.811 . . . . 0.0 108.812 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.43 -75.47 0.04 OUTLIER 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 114.271 -1.331 . . . . 0.0 112.399 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 16.7 p90 -171.53 165.89 6.84 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.86 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 1.2 p30 -88.43 101.93 14.4 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.478 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.407 ' HA ' HD12 ' A' ' 55' ' ' LEU . 53.2 t80 -64.97 -20.25 66.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.26 -179.325 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.24 -10.32 59.79 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.792 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 2.7 tm-20 -100.32 -11.52 20.24 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.562 -179.346 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 52' ' ' TYR . 92.8 mt -80.76 152.88 28.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.962 0.411 . . . . 0.0 111.045 -179.297 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.05 162.6 40.54 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.045 -179.21 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -75.62 -9.72 19.99 Favored 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 122.31 2.007 . . . . 0.0 109.971 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.57 -9.85 59.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.089 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -112.83 55.34 0.7 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.328 -178.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -69.42 -46.35 67.01 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -53.1 -53.04 56.23 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.761 -178.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -62.71 -36.24 82.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.829 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 28.2 t-20 -62.17 -44.18 97.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.606 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.515 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 43.7 m-85 -68.8 -56.59 7.53 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.93 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.448 ' OG1' HG21 ' A' ' 83' ' ' VAL . 15.7 m -52.17 -43.05 63.93 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.731 179.506 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.439 HD21 ' CD2' ' A' ' 50' ' ' PHE . 55.4 tp -60.91 -48.88 79.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.315 -179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.08 79.67 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.205 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -79.29 -49.47 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.7 m -63.47 -29.57 70.83 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.466 HG22 HD12 ' A' ' 74' ' ' LEU . 29.0 m -75.14 -51.91 12.27 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.356 178.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.19 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' ASP . 15.4 tm-20 -71.37 -52.46 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.066 0.46 . . . . 0.0 110.61 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.14 -39.17 91.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.928 -178.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 46' ' ' PHE . 96.4 mt -78.12 -47.42 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.89 8.54 8.74 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -177.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' GLU . 99.5 m-20 45.94 38.95 5.01 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.039 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.91 -162.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.616 -178.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.2 170.82 10.7 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.308 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -136.99 39.74 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.02 -18.15 64.62 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.356 -178.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.03 145.15 42.58 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.178 0.513 . . . . 0.0 112.1 -178.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -111.43 143.7 41.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.325 178.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.448 HG21 ' OG1' ' A' ' 65' ' ' THR . 67.2 t -57.83 -51.81 65.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.29 -178.538 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -55.43 -46.63 76.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.195 -178.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -63.27 -44.38 95.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.803 0.335 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 3.5 mtp -61.91 -43.91 97.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.421 0.629 . . . . 0.0 109.897 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' VAL . 70.1 t -70.06 -41.85 79.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.127 179.109 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -71.74 -48.45 46.88 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.96 -179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.88 -54.57 40.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 61.3 19.86 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 -177.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 91' ' ' VAL . 95.9 t -155.37 57.7 1.69 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 113.689 -1.596 . . . . 0.0 109.998 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.8 Cg_endo -44.99 -179.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.895 1.73 . . . . 0.0 111.171 -179.519 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -113.96 129.18 56.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.974 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 m -48.78 -34.1 11.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.161 -178.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -73.71 -34.68 64.91 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.8 m -66.48 -51.12 60.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.614 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.6 -43.98 97.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.041 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 19.9 t80 -59.38 -51.41 70.05 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.3 m -56.73 -45.21 82.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.183 -179.575 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -62.15 -49.95 73.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.698 . . . . 0.0 110.068 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 9' ' ' LEU . 6.3 mm -59.63 -40.95 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.942 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -51.81 -60.29 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.445 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -59.44 -46.8 87.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.334 -179.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.8 tp -59.3 -45.48 91.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.675 -179.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -53.69 -48.49 69.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.53 0.681 . . . . 0.0 109.827 -179.418 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -60.91 -38.17 84.82 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.078 -178.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.7 m -59.61 -40.31 87.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.03 178.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.81 -36.68 80.84 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.205 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.65 -48.79 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -178.23 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 111' ' ' LYS . 12.6 pt20 -65.91 -47.97 73.0 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.51 0.671 . . . . 0.0 109.587 179.163 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 14.2 tptm -55.05 -28.88 55.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.054 -179.628 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.74 18.38 58.38 Favored Glycine 0 N--CA 1.463 0.436 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.348 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.4 mt -74.5 -43.58 55.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.226 -0.987 . . . . 0.0 110.999 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.217 -179.127 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 121.1 0.476 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.442 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -50.57 -55.45 16.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.988 -179.517 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.67 -45.2 87.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.0 -46.11 92.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.457 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.44 -53.59 56.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.551 1.167 . . . . 0.0 109.882 179.32 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.493 ' O ' ' CE ' ' A' ' 16' ' ' MET . 87.0 t90 -54.4 -62.07 1.89 Allowed 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 112.683 -2.053 . . . . 0.0 111.067 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 m -51.71 -45.2 63.48 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.973 0.416 . . . . 0.0 110.643 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.2 ttp180 -63.02 -52.35 63.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.714 0.769 . . . . 0.0 110.233 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -44.32 -15.94 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.159 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.616 ' N ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -104.03 -20.86 13.71 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.683 -179.271 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.548 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.4 p -68.55 -11.21 59.62 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.205 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 35.6 ptt-85 -63.6 -37.87 88.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.783 0.802 . . . . 0.0 109.462 179.253 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.44 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 18.4 t-20 -66.69 -36.36 82.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.022 -179.838 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.526 ' O ' ' O ' ' A' ' 17' ' ' THR . 70.2 m-85 -98.65 151.92 20.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.683 -179.155 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 23' ' ' VAL . 10.7 pt-20 -117.32 176.17 5.28 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.881 -179.42 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.601 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.7 OUTLIER 59.79 9.62 1.74 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.867 0.842 . . . . 0.0 108.745 -179.501 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.415 ' H ' ' C ' ' A' ' 21' ' ' GLU . 54.1 t -122.29 131.62 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.945 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 42.1 p-10 -145.7 106.02 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.621 179.638 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.2 mt -85.11 89.97 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 112.722 -178.243 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -100.7 -13.04 18.67 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.959 178.238 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.442 HD22 ' H ' ' A' ' 29' ' ' SER . 27.6 t30 -157.51 176.44 12.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.384 179.137 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 66.6 m-85 -99.48 -6.58 27.34 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.97 0.414 . . . . 0.0 110.376 -179.749 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.442 ' H ' HD22 ' A' ' 27' ' ' ASN . 18.3 m -104.24 -72.21 0.71 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -177.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 m -57.26 -43.9 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -177.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -72.93 2.33 7.08 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.175 -179.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.408 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 41.3 m95 -115.74 -10.83 11.71 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.772 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 4.8 m -62.38 -9.62 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.188 -178.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.5 t -91.16 -23.2 20.32 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -179.444 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.57 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 77.54 -15.28 7.69 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -177.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.501 ' H ' ' C ' ' A' ' 34' ' ' SER . 11.8 mmm -61.27 -28.23 69.03 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.656 -0.772 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.56 -49.12 43.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.682 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -45.18 90.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.005 -179.174 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 15.4 p -68.79 -46.52 68.48 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.274 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.613 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -64.77 -41.23 96.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.351 -178.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.36 -42.62 99.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.929 0.395 . . . . 0.0 110.964 -178.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.59 -39.55 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.268 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -56.84 -40.64 76.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.4 -178.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.467 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 4.3 tmtt? -53.03 -36.4 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.689 -178.131 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -89.71 -36.93 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 99.2 m-85 -115.34 73.34 3.74 Favored Pre-proline 0 C--O 1.217 -0.646 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.137 -178.15 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.69 -37.44 15.85 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 121.748 1.632 . . . . 0.0 112.043 -178.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -63.99 -20.89 66.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.366 0.603 . . . . 0.0 109.4 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' PHE . . . -33.39 -77.57 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.329 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -168.14 162.28 12.9 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.444 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -77.79 93.37 4.32 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -61.01 -20.74 62.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.978 -179.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.64 -20.02 44.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.662 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -84.38 -14.59 49.03 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.791 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.8 mt -82.19 148.45 28.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 111.03 -179.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' ALA . 3.5 m-20 -125.67 147.21 57.6 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.211 -179.625 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -51.34 -10.67 0.47 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.045 1.83 . . . . 0.0 109.887 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -72.46 -44.27 62.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.662 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -88.04 59.51 5.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.58 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.534 ' NH2' ' O ' ' A' ' 33' ' ' SER . 27.8 mtp85 -70.96 -52.59 18.94 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.51 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -52.44 -49.17 65.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.413 0.625 . . . . 0.0 110.231 -178.416 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -60.54 -33.68 73.02 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.82 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 46.8 t30 -62.51 -41.03 98.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.339 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 52.4 m-85 -66.22 -58.71 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.63 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.504 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.9 m -51.59 -42.61 62.05 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.712 179.46 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.7 -48.18 82.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.184 -179.509 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -38.22 86.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.051 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -78.47 -48.8 14.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.074 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.8 t -63.72 -27.22 69.05 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.95 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.4 m -78.59 -45.43 21.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.354 178.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.48 80.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.752 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ASP . 44.3 tp10 -72.41 -49.8 31.01 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.933 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.39 -41.9 94.79 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.976 -178.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.9 mt -87.75 -40.71 13.86 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -179.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.98 -0.68 12.71 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 77' ' ' CYS . 98.4 m-20 49.12 34.08 5.51 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.831 179.559 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.3 t -49.07 -163.77 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.666 -178.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.73 174.38 7.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.331 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -127.97 40.67 3.64 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.8 -26.59 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.754 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mt -114.37 142.26 46.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.228 0.537 . . . . 0.0 112.24 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -110.96 142.66 42.77 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.171 178.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.504 HG21 ' OG1' ' A' ' 65' ' ' THR . 55.5 t -56.16 -52.34 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.386 -178.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 88' ' ' ARG . 91.9 m-20 -55.93 -46.08 78.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.182 -178.274 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.77 -44.44 96.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.856 0.36 . . . . 0.0 110.174 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.4 mtp -62.68 -44.49 96.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.379 0.609 . . . . 0.0 109.436 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.38 -40.53 77.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.83 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' ASP . 53.0 ttp180 -72.1 -48.67 42.21 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.905 0.383 . . . . 0.0 111.985 -179.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.82 -49.81 64.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.365 -179.079 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 57.61 25.22 11.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 91' ' ' VAL . 97.0 t -158.35 59.86 1.66 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.676 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.483 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.3 Cg_endo -46.28 -176.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 121.967 1.778 . . . . 0.0 111.226 -179.617 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -117.04 130.02 56.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.311 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -49.44 -33.19 13.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.209 -178.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -75.61 -33.25 60.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.63 179.157 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.3 m -67.46 -53.57 27.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.89 -44.48 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.293 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 16.6 t80 -59.03 -50.48 73.92 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.154 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.2 m -58.44 -44.28 89.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.721 -179.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.49 -49.67 75.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.334 0.588 . . . . 0.0 110.052 179.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.9 mm -61.11 -41.04 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.161 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -49.46 -63.12 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.825 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -57.87 -44.14 86.44 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.904 -178.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.89 -44.72 96.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -53.63 -47.74 70.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.697 0.76 . . . . 0.0 109.618 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -60.48 -42.75 96.89 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.847 -178.23 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.5 p -58.9 -38.67 79.43 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.805 179.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.4 -41.01 96.88 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.921 179.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.81 -46.46 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.245 -178.421 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -51.52 64.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.299 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -53.9 -24.44 16.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.446 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.6 19.82 65.25 Favored Glycine 0 N--CA 1.461 0.314 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.0 mt -75.03 -55.02 6.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.61 -0.795 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.532 0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.784 -179.658 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 109.867 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.0 OUTLIER -60.25 -48.53 81.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.342 -179.698 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 98' ' ' TYR . 86.5 mt -64.29 -43.07 95.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.408 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.1 tp -60.47 -48.28 82.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.493 -179.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.69 -55.0 40.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.568 1.175 . . . . 0.0 110.101 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -53.91 -62.24 1.78 Allowed 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.421 -2.172 . . . . 0.0 111.366 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -50.86 -36.09 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.413 0.625 . . . . 0.0 111.029 179.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' C ' ' H ' ' A' ' 16' ' ' MET . 35.2 ttm180 -70.83 -48.16 55.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.736 0.779 . . . . 0.0 110.563 179.296 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.533 ' O ' ' NH1' ' A' ' 18' ' ' ARG . . . -47.52 -13.43 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.477 -179.062 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.446 ' H ' ' C ' ' A' ' 14' ' ' ARG . 13.7 ptp -121.79 -0.43 9.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.045 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.516 ' OG1' HD12 ' A' ' 25' ' ' ILE . 85.8 m -85.4 -13.46 49.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.217 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.533 ' NH1' ' O ' ' A' ' 15' ' ' ALA . 79.2 mtm-85 -64.81 -34.34 78.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.411 0.624 . . . . 0.0 109.922 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.74 -37.72 87.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.38 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.432 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 54.1 m-85 -104.52 94.46 5.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.597 -179.306 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' C ' ' H ' ' A' ' 23' ' ' VAL . 97.0 mt-10 -68.0 -172.48 0.3 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.494 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.3 t60 61.4 0.17 0.42 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.621 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.578 ' H ' ' C ' ' A' ' 21' ' ' GLU . 72.0 t -124.05 129.22 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.345 -179.7 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -137.04 107.33 6.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.887 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.516 HD12 ' OG1' ' A' ' 17' ' ' THR . 91.0 mt -85.09 87.46 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.412 0.625 . . . . 0.0 112.182 -178.317 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -94.0 -23.69 17.93 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.084 178.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -147.33 -175.7 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.819 -1.082 . . . . 0.0 108.214 178.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.42 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 68.3 m-85 -105.1 -7.31 19.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.072 0.463 . . . . 0.0 110.318 -179.505 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' A' ' 30' ' ' SER . 94.6 p -106.22 -68.6 0.87 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -177.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.467 ' N ' ' OG ' ' A' ' 29' ' ' SER . 77.9 p -59.56 -45.21 92.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.541 -177.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.8 m -74.16 6.19 3.73 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.315 -178.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.8 m95 -116.33 -8.46 11.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.714 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.5 m -55.52 -39.07 70.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.228 -179.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -64.12 -26.61 68.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.49 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 81.15 -10.94 45.83 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 108.774 -1.73 . . . . 0.0 108.774 -178.064 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.421 ' H ' ' C ' ' A' ' 34' ' ' SER . 48.4 mmm -62.23 -27.23 68.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.605 -0.797 . . . . 0.0 110.282 179.273 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.08 -50.27 56.09 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 -179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.22 -44.99 88.45 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.061 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 4.6 m -66.55 -47.23 73.51 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.044 -179.678 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -61.5 -42.08 98.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.409 -178.401 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD1' ' SD ' ' A' ' 16' ' ' MET . 53.6 tp -61.95 -43.0 99.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -178.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.2 mm -66.93 -42.76 89.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.542 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 32.8 t-80 -56.19 -12.67 1.64 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.275 -178.494 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -79.33 -38.03 36.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.633 -179.588 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.4 m-85 -82.57 -41.95 18.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.972 -178.251 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.534 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 20.0 m-85 -122.77 74.91 46.59 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.436 -178.135 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.0 Cg_endo -46.2 -34.78 14.14 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.906 1.737 . . . . 0.0 111.423 -179.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.83 -4.78 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.568 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -52.96 -70.57 0.09 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.612 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.504 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 5.3 p90 -169.92 164.95 9.7 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.614 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -82.85 94.76 7.75 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -61.87 -21.96 65.13 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 120.967 0.413 . . . . 0.0 111.169 -179.001 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.53 -14.39 58.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.66 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -92.21 -14.3 29.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.4 mt -84.33 151.58 24.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 110.95 -179.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.73 162.37 35.05 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.398 -179.35 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -74.82 -12.39 21.91 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 122.197 1.932 . . . . 0.0 110.019 179.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.78 -44.87 72.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.305 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -87.7 68.85 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.432 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -73.51 -46.07 50.09 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -51.81 -47.46 64.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.144 0.497 . . . . 0.0 110.542 -178.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -66.4 -36.71 83.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.756 179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 18.6 t-20 -61.63 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.144 0.497 . . . . 0.0 110.627 -179.378 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.576 ' HB2' HG13 ' A' ' 83' ' ' VAL . 48.2 m-85 -68.32 -55.18 12.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.707 179.274 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.7 m -52.64 -42.64 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.387 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.11 -49.89 75.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.007 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.61 -38.17 77.44 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.876 -178.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -80.5 -49.94 10.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.041 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.9 p -62.16 -31.1 71.56 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.782 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.9 m -76.0 -48.73 19.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.355 178.43 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -64.47 -32.74 74.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 76' ' ' ASP . 84.7 tt0 -70.47 -51.62 27.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.058 0.456 . . . . 0.0 110.62 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.44 -38.98 82.11 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.829 -178.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.418 HD13 ' CG ' ' A' ' 46' ' ' PHE . 85.7 mt -77.41 -49.06 15.65 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.19 8.7 9.18 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' A' ' 72' ' ' GLU . 98.8 m-20 47.4 40.14 10.38 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.034 179.305 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.542 ' SG ' ' CD1' ' A' ' 104' ' ' LEU . 62.3 m -48.0 -169.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.472 -178.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.72 170.9 13.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.33 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -126.64 35.39 4.64 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.1 -26.67 66.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.341 -178.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.94 145.94 37.47 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.284 0.564 . . . . 0.0 112.079 -178.572 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -116.41 135.68 53.64 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.3 179.09 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' A' ' 64' ' ' PHE . 70.5 t -52.14 -53.71 17.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.529 -178.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.64 -45.08 73.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.004 -178.505 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.84 -45.4 94.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.905 0.383 . . . . 0.0 110.087 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.409 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 13.9 mtp -61.85 -45.69 92.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.325 0.583 . . . . 0.0 109.941 179.123 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.51 -42.21 86.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.841 179.225 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -71.24 -48.6 50.22 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.611 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 91.4 mt -67.55 -49.27 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.275 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 56.69 29.91 16.62 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -177.353 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 91' ' ' VAL . 78.2 t -162.89 61.41 1.1 Allowed Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 113.582 -1.645 . . . . 0.0 109.931 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.4 Cg_endo -45.8 -177.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 121.871 1.714 . . . . 0.0 111.229 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 96' ' ' CYS . 27.7 t0 -120.61 131.59 54.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.446 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.7 m -45.97 -32.71 2.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.041 -178.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.638 ' O ' HG22 ' A' ' 99' ' ' THR . 11.6 ptmm? -79.49 -27.81 41.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.338 179.463 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 93' ' ' ASP . 9.7 m -72.34 -41.64 66.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.451 0.643 . . . . 0.0 110.537 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.73 -43.09 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.107 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 22.0 t80 -62.07 -52.73 62.73 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.577 -178.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 95' ' ' LYS . 14.9 t -59.19 -42.2 90.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.3 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.494 ' N ' HG23 ' A' ' 99' ' ' THR . 62.5 t80 -62.53 -50.9 69.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.488 0.661 . . . . 0.0 110.079 179.091 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.0 mm -60.04 -37.5 72.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.057 179.754 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -53.38 -59.22 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.691 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -59.44 -46.85 87.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.498 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.542 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 14.1 tp -61.39 -44.51 97.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.705 -179.86 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' ILE . 91.7 t80 -53.82 -48.35 69.98 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.49 0.662 . . . . 0.0 109.678 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -61.02 -38.76 87.24 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.937 -178.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 t -59.18 -40.51 85.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.636 178.75 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.6 mt -67.75 -38.11 83.04 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.075 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.69 -49.09 85.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.929 -177.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -64.15 -43.73 94.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.327 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -61.88 -25.78 67.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.37 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.74 20.07 58.71 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.1 mt -75.98 -38.52 57.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.367 -0.916 . . . . 0.0 110.941 179.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 CA--C 1.532 0.257 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.541 -178.679 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.6 tmt? -59.51 -46.04 89.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.467 HD12 ' CE2' ' A' ' 98' ' ' TYR . 96.6 mt -62.69 -45.16 94.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.27 -47.31 86.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.509 -179.182 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -59.15 -53.43 58.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.44 1.114 . . . . 0.0 110.216 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 83.4 t90 -52.95 -59.74 4.15 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 112.541 -2.118 . . . . 0.0 111.111 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' THR . 5.1 t -54.2 -43.77 71.04 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.943 179.164 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -60.0 -35.03 74.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.243 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 12' ' ' TRP . . . -65.87 -29.03 69.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.774 -178.57 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.41 ' H ' ' HG2' ' A' ' 16' ' ' MET . 12.4 ptp -116.08 -2.55 12.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -178.188 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' CYS . 61.1 m -99.31 -13.13 19.78 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.971 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' TYR . 72.0 ttt180 -68.0 -45.75 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 109.674 179.155 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -40.71 -25.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.871 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ARG . 64.1 m-85 -104.36 101.32 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.758 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.583 ' C ' ' H ' ' A' ' 23' ' ' VAL . 18.3 pt-20 -66.43 -175.94 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.71 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.639 ' NE2' ' SD ' ' A' ' 36' ' ' MET . 0.9 OUTLIER 61.49 -0.76 0.36 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.729 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.583 ' H ' ' C ' ' A' ' 21' ' ' GLU . 70.0 t -125.66 128.82 72.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.47 -179.797 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 99.6 m-20 -141.83 110.47 6.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.879 179.723 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.5 mt -76.96 104.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.521 0.676 . . . . 0.0 112.723 -178.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.412 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 7.7 tt0 -104.5 -31.11 9.62 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.874 178.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 26' ' ' GLN . 93.3 m-20 -151.15 -172.22 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.234 178.683 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.405 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 68.3 m-85 -101.81 -4.96 25.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.167 0.508 . . . . 0.0 110.393 -179.572 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -109.63 -65.08 1.18 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -60.78 -45.68 93.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.462 -178.319 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -74.86 4.98 5.55 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.859 -178.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.405 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 35.9 m95 -115.73 -7.8 12.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.748 -179.435 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.5 p -54.87 -33.63 62.08 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.345 -178.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 36' ' ' MET . 78.3 p -66.79 -26.26 66.87 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.403 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.573 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 75.67 -12.68 7.78 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 -178.047 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.639 ' SD ' ' NE2' ' A' ' 22' ' ' HIS . 86.7 mtp -68.82 -20.43 64.31 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.59 -0.805 . . . . 0.0 110.181 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.55 -49.82 56.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.261 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -40.54 71.73 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.789 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.591 ' SG ' ' ND2' ' A' ' 63' ' ' ASN . 17.0 m -70.22 -44.39 68.71 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.084 -179.103 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.82 99.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.501 -178.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.22 -41.22 98.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.503 ' C ' ' H ' ' A' ' 44' ' ' LYS . 3.2 mm -69.13 -43.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.584 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 16.2 t-80 -50.39 -8.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.4 -178.102 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -87.32 -33.41 19.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.987 -179.837 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -87.97 -32.15 19.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.854 -178.261 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.515 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 13.7 m-85 -136.72 67.49 58.16 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.35 -178.321 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.1 Cg_endo -45.29 -34.35 9.95 Favored 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 121.983 1.789 . . . . 0.0 111.562 -179.267 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.17 -2.44 2.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -60.19 -66.35 0.54 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.854 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.433 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 5.7 p90 -167.59 162.01 13.98 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.59 179.627 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -82.88 93.19 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.28 -23.8 50.74 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 -179.229 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.28 -14.27 59.13 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.621 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -92.13 -17.86 24.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.804 -179.286 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.33 151.88 26.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.071 0.462 . . . . 0.0 111.142 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.95 164.1 24.21 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.353 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -74.87 -13.54 21.7 Favored 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 122.085 1.857 . . . . 0.0 110.136 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.73 -46.44 65.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.279 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -85.26 50.34 1.93 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.194 -179.082 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -62.94 -42.58 99.85 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -51.86 -49.33 63.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.432 0.634 . . . . 0.0 110.507 -178.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -66.1 -34.41 77.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.687 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.591 ' ND2' ' SG ' ' A' ' 39' ' ' CYS . 5.3 t30 -61.57 -42.74 99.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.528 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 39.8 m-85 -65.73 -57.75 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.368 179.344 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.443 ' OG1' HG21 ' A' ' 83' ' ' VAL . 13.9 m -52.37 -43.31 64.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.476 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.15 -50.67 73.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.129 -179.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 -39.06 76.5 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.944 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -79.57 -47.03 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.054 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 t -61.12 -29.19 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.798 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.9 m -80.1 -46.55 16.28 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.154 178.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.44 83.82 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 76' ' ' ASP . 85.2 tt0 -72.32 -50.93 23.2 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.697 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -58.02 -40.7 81.45 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.691 -0.803 . . . . 0.0 110.769 -178.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.425 HD13 ' CG ' ' A' ' 46' ' ' PHE . 99.5 mt -81.05 -51.69 8.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.93 4.86 15.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 72' ' ' GLU . 72.2 m-20 47.9 40.04 12.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 119.824 -0.751 . . . . 0.0 110.048 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.3 t -47.76 -171.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.646 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.57 171.87 12.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.326 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -125.22 69.51 1.14 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 mt -102.44 -26.33 13.3 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.629 -178.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -109.09 142.26 40.08 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.299 0.571 . . . . 0.0 112.035 -178.423 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -116.98 128.39 55.14 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.02 178.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.443 HG21 ' OG1' ' A' ' 65' ' ' THR . 69.9 t -44.68 -55.84 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.761 -179.065 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 88' ' ' ARG . 96.8 m-20 -53.48 -46.41 69.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.396 -178.269 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -62.38 -45.03 94.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.01 0.433 . . . . 0.0 110.117 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 14.8 mtp -61.04 -46.23 91.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.46 0.648 . . . . 0.0 110.004 179.575 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.31 -41.94 78.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.093 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HG3' HH11 ' A' ' 88' ' ' ARG . 54.4 ttm-85 -69.56 -47.29 64.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.773 0.321 . . . . 0.0 111.794 -179.311 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 87.2 mt -64.31 -52.14 59.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.078 0.466 . . . . 0.0 110.337 -179.411 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 64.14 24.76 13.54 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.152 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 91' ' ' VAL . 73.6 t -162.49 59.88 0.98 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 113.822 -1.535 . . . . 0.0 109.644 -179.638 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.479 ' O ' ' O ' ' A' ' 91' ' ' VAL . 3.1 Cg_exo -43.83 175.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 121.909 1.739 . . . . 0.0 111.339 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 91.4 m-20 -111.05 126.21 54.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.228 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.3 p -50.85 -31.94 18.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.09 -178.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -69.11 -42.43 76.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.37 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.628 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 2.4 p -65.78 -46.74 77.61 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.783 -179.25 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.628 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 91.1 t -63.12 -46.36 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CE2' HD12 ' A' ' 9' ' ' LEU . 21.1 t80 -58.67 -50.21 74.7 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.981 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 m -58.42 -42.7 87.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.986 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -62.55 -52.01 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.445 0.641 . . . . 0.0 110.446 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' TYR . 27.6 mm -59.36 -39.83 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.201 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -52.98 -59.18 4.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.741 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -60.36 -47.86 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.591 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.15 -45.34 93.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.767 -179.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' ILE . 84.0 t80 -54.32 -48.36 71.43 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.667 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -60.15 -43.2 95.93 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.777 -1.102 . . . . 0.0 111.106 -178.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.8 m -56.44 -41.6 76.7 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.738 178.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.99 -39.79 94.93 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.34 -47.03 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.438 -178.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -45.35 93.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -65.86 -15.23 62.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.332 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.61 23.53 76.63 Favored Glycine 0 N--CA 1.463 0.497 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.22 -49.43 27.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.001 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.531 0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.149 -178.546 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.08 0.467 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 tpt -56.32 -48.11 77.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.423 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.97 -46.2 85.67 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.431 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.99 -46.59 88.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.671 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 37.3 tt0 -57.65 -46.85 83.66 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.563 1.173 . . . . 0.0 109.913 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -67.31 -65.04 0.74 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.326 -2.215 . . . . 0.0 111.159 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 m -50.83 -50.66 56.09 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -59.99 -48.81 80.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.501 -179.445 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 11' ' ' GLU . . . -55.06 -38.48 68.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.628 -179.002 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.469 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.2 mpp? -89.09 -0.73 57.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.687 -179.483 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 17' ' ' THR . 87.4 m -103.81 -5.77 22.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.325 -179.474 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -65.72 -46.21 79.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.715 0.769 . . . . 0.0 109.86 178.414 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -51.33 -30.0 17.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.995 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 64.6 m-85 -97.43 99.43 10.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.115 -179.453 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.58 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.96 -177.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.407 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.685 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 19.2 t-80 62.38 -1.02 0.45 Allowed 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.867 0.842 . . . . 0.0 108.796 -179.589 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.58 ' H ' ' C ' ' A' ' 21' ' ' GLU . 64.6 t -128.53 131.39 68.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.9 -179.657 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -146.82 110.63 4.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.716 179.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -82.96 94.83 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -93.36 -24.78 17.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.975 178.252 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.422 ' H ' ' HB3' ' A' ' 31' ' ' SER . 34.2 m120 -151.73 -172.07 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.24 178.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.409 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 60.1 m-85 -104.61 -11.86 16.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.098 0.475 . . . . 0.0 110.472 -179.515 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 p -104.69 -71.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.778 -178.121 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -61.17 -42.63 98.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.196 -178.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB3' ' H ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -70.7 0.14 7.63 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.821 -178.626 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.409 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.9 m95 -113.09 -5.05 13.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.653 -179.575 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.434 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 70.9 m -63.33 -4.76 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.449 -178.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 36' ' ' MET . 4.7 t -91.91 -24.47 19.29 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.721 -179.223 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.535 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 79.31 -16.18 10.39 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 -177.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.488 ' H ' ' C ' ' A' ' 34' ' ' SER . 36.3 mmm -62.61 -31.07 71.84 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.535 -0.833 . . . . 0.0 110.382 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -52.07 62.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.994 -178.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.17 -45.56 87.29 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.105 -178.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.491 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 8.9 m -68.32 -47.05 68.56 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.289 -179.265 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.51 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -62.17 -41.86 98.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.579 -177.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.09 -45.19 94.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.893 0.378 . . . . 0.0 110.767 -178.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' C ' ' H ' ' A' ' 44' ' ' LYS . 6.3 mm -66.46 -44.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.887 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 29.5 t-80 -55.38 -6.61 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.403 -178.038 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 42' ' ' ILE . 6.0 tmtt? -84.05 -35.04 24.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.341 -179.443 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.14 -19.31 17.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.674 -178.619 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -128.42 98.1 26.68 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.319 -178.44 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.484 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -74.53 -37.3 2.45 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.826 1.684 . . . . 0.0 111.721 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 21.4 mp0 -70.75 2.82 3.72 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -61.89 -77.55 0.05 OUTLIER 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.04 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.537 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.0 p90 -165.56 159.35 16.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.657 179.277 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -81.04 94.37 6.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -62.16 -22.06 65.57 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.203 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.32 -13.05 59.89 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.673 -179.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -96.31 -11.43 25.91 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.749 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -84.23 152.17 24.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.943 0.401 . . . . 0.0 111.105 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -123.92 164.18 30.85 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.436 -179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -74.65 -9.11 21.09 Favored 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.308 2.005 . . . . 0.0 110.048 179.165 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.25 62.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.162 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -90.8 53.3 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.538 -178.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 33' ' ' SER . 57.3 mtp180 -64.33 -45.18 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.687 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -50.66 -48.42 58.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.191 0.52 . . . . 0.0 110.387 -178.492 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -65.85 -34.6 78.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.692 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 24.9 t30 -61.25 -42.49 98.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.53 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 56.1 m-85 -67.53 -55.29 14.09 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.389 179.482 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.457 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.7 m -54.15 -41.69 68.72 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.31 -49.52 76.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.24 -38.65 84.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.96 -179.035 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -79.53 -48.41 13.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.002 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.4 t -65.67 -28.04 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.947 -179.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.7 m -79.14 -48.09 14.92 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.144 178.624 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.45 78.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.089 -179.599 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 76' ' ' ASP . 86.2 tt0 -74.78 -46.61 35.81 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 110.683 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -59.13 -42.86 91.63 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.702 -178.644 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.33 -44.26 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.87 2.49 17.05 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -177.274 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 72' ' ' GLU . 91.5 m-20 50.11 31.72 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.881 179.506 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' ASP . 22.7 p -49.21 -165.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.619 -178.879 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.64 174.98 7.07 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.274 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -131.31 40.14 3.46 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.44 -26.65 68.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.53 -178.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -112.35 145.75 39.51 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.357 0.599 . . . . 0.0 112.13 -178.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -114.23 140.95 48.15 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.117 178.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG21 ' OG1' ' A' ' 65' ' ' THR . 52.9 t -58.0 -52.3 59.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.381 -178.657 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -53.93 -46.03 71.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.241 -178.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.65 -43.48 98.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.903 0.383 . . . . 0.0 110.19 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.53 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 4.5 mtp -60.95 -43.52 98.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.382 0.611 . . . . 0.0 109.68 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 83' ' ' VAL . 72.8 t -64.27 -42.98 97.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.062 179.51 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -73.41 -50.2 23.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 111.712 -179.346 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 20.7 mt -55.32 -61.74 2.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.53 -178.874 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 64.74 21.99 12.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -176.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 91' ' ' VAL . 77.8 t -160.03 59.9 1.36 Allowed Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.695 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.49 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.5 Cg_endo -44.06 176.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.489 1.264 0 C-N-CA 121.989 1.792 . . . . 0.0 111.366 -179.578 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -112.41 128.16 56.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.368 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -49.52 -32.92 13.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.979 -178.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -73.85 -35.82 64.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.417 179.036 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.5 m -66.05 -52.12 51.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.629 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.38 -44.53 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 21.4 t80 -59.02 -51.35 70.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.176 -179.736 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.2 m -58.08 -43.49 87.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.232 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.51 -50.83 71.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.489 0.661 . . . . 0.0 110.308 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' TYR . 26.2 mm -61.42 -40.93 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.207 179.792 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -50.51 -61.18 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.98 -45.03 91.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.645 -179.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.47 -43.48 98.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.3 t80 -53.67 -47.06 70.77 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.647 0.737 . . . . 0.0 109.757 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -60.18 -41.6 93.25 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.924 -179.01 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 t -59.22 -42.79 91.81 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.846 178.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.447 ' CB ' HG23 ' A' ' 114' ' ' VAL . 94.2 mt -62.01 -38.76 89.83 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.97 -46.75 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.462 -178.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -49.74 70.8 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.376 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -58.8 -19.64 42.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.226 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.53 77.81 Favored Glycine 0 N--CA 1.465 0.601 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.656 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.94 -43.35 58.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.422 -0.889 . . . . 0.0 111.185 179.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.447 HG23 ' CB ' ' A' ' 108' ' ' LEU . 81.3 t . . . . . 0 N--CA 1.464 0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.419 -178.089 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.132 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -59.16 -46.91 87.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.322 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.455 HD12 ' CE2' ' A' ' 98' ' ' TYR . 94.1 mt -63.28 -43.71 97.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.77 -47.51 85.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.334 -179.554 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.1 -54.52 46.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.58 1.181 . . . . 0.0 110.144 179.505 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.504 ' O ' ' CE ' ' A' ' 16' ' ' MET . 84.6 t90 -53.33 -61.95 1.97 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 112.638 -2.074 . . . . 0.0 111.344 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 14.1 p -52.58 -43.81 65.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 110.985 179.62 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.605 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 69.0 ttp85 -63.2 -47.4 82.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.977 0.894 . . . . 0.0 110.154 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -54.09 -10.77 0.38 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.138 -179.366 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.2 mpp? -112.98 1.88 15.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.616 -179.415 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 14' ' ' ARG . 16.7 p -95.12 -8.68 35.77 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -64.83 -41.4 95.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 109.692 178.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.41 -36.45 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.026 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 97.0 m-85 -94.29 152.82 18.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.625 -179.541 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' A' ' 23' ' ' VAL . 45.8 mt-10 -118.75 172.89 7.2 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.741 -179.291 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 3.6 t60 60.43 4.63 0.73 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.533 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.503 ' H ' ' C ' ' A' ' 21' ' ' GLU . 74.0 t -123.95 128.19 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.035 -179.802 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 23.8 p-10 -147.15 109.64 4.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.631 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.9 mt -87.29 87.68 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.57 0.7 . . . . 0.0 112.329 -178.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -93.64 -23.51 18.24 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.123 178.579 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -142.19 179.6 6.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.042 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.433 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 58.1 m-85 -105.01 -12.16 16.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.007 0.432 . . . . 0.0 110.414 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -106.93 -69.92 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.686 -177.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -61.84 -43.11 99.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.383 -178.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.78 1.04 7.52 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.774 -178.495 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.433 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 30.8 m95 -112.84 -3.85 14.09 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.571 -179.386 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -54.22 -41.35 68.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.181 -178.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -63.5 -25.19 68.14 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.63 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 75.48 -9.29 15.35 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 108.686 -1.765 . . . . 0.0 108.686 -177.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.503 ' H ' ' C ' ' A' ' 34' ' ' SER . 4.0 mmt -62.83 -20.86 65.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.622 -0.789 . . . . 0.0 110.331 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.91 -48.18 32.64 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.522 -179.698 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.32 -43.42 83.28 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.871 -179.397 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 5.5 m -71.76 -45.8 60.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.955 0.407 . . . . 0.0 111.045 -179.255 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.75 95.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.34 -178.21 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.62 -44.21 91.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.0 mm -65.49 -44.12 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.688 179.501 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.441 ' CG ' ' HH ' ' A' ' 20' ' ' TYR . 39.2 t-80 -59.79 -8.68 2.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 111.478 -178.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 44' ' ' LYS . 3.6 tmtt? -75.54 -41.05 55.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.56 0.695 . . . . 0.0 111.142 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -99.97 -15.0 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.88 -177.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.48 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.8 m-85 -124.0 97.64 40.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.279 -178.433 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.47 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.9 Cg_endo -75.56 -40.55 0.75 Allowed 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.787 1.658 . . . . 0.0 111.815 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.78 -2.69 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -58.4 -78.19 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.046 -179.491 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.434 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 9.2 p90 -168.61 162.83 12.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.575 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 54' ' ' GLU . 7.8 t0 -84.44 96.44 9.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.727 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.513 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 22.9 t80 -64.94 -20.17 66.33 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.171 -179.329 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.5 -9.71 59.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.59 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 2.0 mm-40 -97.14 -12.56 22.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 -179.267 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.4 -176.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.959 0.409 . . . . 0.0 111.206 -178.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.72 171.97 6.74 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.054 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -75.46 -17.11 18.83 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.087 1.858 . . . . 0.0 110.304 179.035 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.03 -3.82 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.032 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -108.88 36.55 2.83 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.018 -178.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -64.87 -56.67 11.99 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.261 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -51.64 -45.66 63.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.465 0.65 . . . . 0.0 110.182 -178.496 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -66.49 -34.6 78.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.501 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 28.2 t-20 -61.05 -42.71 98.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.621 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 39.9 m-85 -69.07 -53.63 19.34 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.867 179.502 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.402 ' OG1' HG21 ' A' ' 83' ' ' VAL . 14.9 m -56.22 -42.65 77.6 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.384 -0.527 . . . . 0.0 109.725 179.629 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.46 -50.53 73.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.176 -179.373 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.09 -36.36 70.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.986 -178.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 43.3 m-85 -81.75 -49.87 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.017 179.73 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.4 m -61.46 -32.59 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.823 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -77.75 -47.71 18.37 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.277 178.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.84 77.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.782 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 39.1 tp10 -71.71 -49.51 38.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.626 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -59.06 -41.06 87.04 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.755 -179.002 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 46' ' ' PHE . 97.4 mt -77.65 -48.61 16.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -178.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.477 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -121.81 8.0 9.94 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 30.5 t70 47.24 37.19 5.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.978 179.297 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 84.1 m -48.85 -166.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.122 -0.945 . . . . 0.0 112.498 -179.035 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.8 169.44 15.17 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.267 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -131.7 33.91 3.95 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.021 0.438 . . . . 0.0 110.055 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 7.4 mt -65.32 -22.5 66.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.335 -178.312 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -110.53 147.63 33.76 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.227 0.537 . . . . 0.0 112.217 -178.42 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -116.42 140.71 49.05 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.474 179.093 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.402 HG21 ' OG1' ' A' ' 65' ' ' THR . 77.2 t -57.94 -51.96 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.393 -178.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -55.09 -45.39 75.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.009 -178.489 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -57.74 -46.22 84.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.206 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.621 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 3.2 mtm -61.21 -45.76 93.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.409 0.623 . . . . 0.0 110.141 178.595 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.75 -42.01 91.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.635 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HG3' HH11 ' A' ' 88' ' ' ARG . 40.0 ttm-85 -73.66 -50.26 21.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.732 0.301 . . . . 0.0 111.621 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.3 mt -68.0 -48.18 66.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.193 0.52 . . . . 0.0 110.007 -178.504 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 56.21 31.51 18.54 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -177.376 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 91' ' ' VAL . 79.5 t -161.84 62.39 1.42 Allowed Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.749 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.469 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.7 Cg_endo -45.18 177.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.951 1.767 . . . . 0.0 111.172 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -113.24 128.98 56.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.247 179.425 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.0 p -49.05 -34.2 13.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.056 -178.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -73.63 -35.37 65.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 179.084 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.1 m -65.99 -51.05 61.88 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.648 -179.057 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.87 -44.54 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.603 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.3 t80 -59.09 -51.58 69.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.168 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.1 m -57.97 -44.95 87.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.241 -179.595 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.08 -50.06 73.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.327 0.584 . . . . 0.0 110.185 179.41 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.4 mm -59.95 -40.24 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.99 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -50.87 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.72 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -57.07 -45.77 83.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.62 -179.049 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.6 tp -59.29 -46.06 89.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.888 -179.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -52.87 -48.31 67.21 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.724 -179.287 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.9 -39.22 84.63 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.428 -178.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 t -61.14 -41.32 96.53 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.918 178.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.0 mt -67.04 -36.49 82.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.068 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.04 -49.48 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.674 -178.068 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -65.57 -47.07 77.04 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.178 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -56.39 -30.25 62.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.115 -179.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.26 19.29 55.64 Favored Glycine 0 N--CA 1.463 0.499 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.077 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.7 mt -77.15 -36.14 55.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.451 -0.875 . . . . 0.0 110.846 179.223 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.24 -179.034 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.952 0.406 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 tpt -58.45 -45.56 88.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.384 -179.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.434 HD12 ' CE2' ' A' ' 98' ' ' TYR . 89.0 mt -65.17 -43.16 92.6 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.555 179.676 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.39 -48.56 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.649 -179.357 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -55.39 -50.85 68.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.519 1.152 . . . . 0.0 109.961 179.668 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.476 ' O ' ' CE ' ' A' ' 16' ' ' MET . 89.0 t90 -60.45 -58.28 9.15 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 112.499 -2.137 . . . . 0.0 110.968 -179.704 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.54 -45.95 66.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.083 0.468 . . . . 0.0 110.746 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -61.46 -48.72 79.86 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' SD ' ' A' ' 16' ' ' MET . . . -50.57 -23.34 2.48 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.144 -179.624 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.1 mpp? -107.92 -1.93 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.569 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.554 ' OG1' HD12 ' A' ' 25' ' ' ILE . 24.7 m -88.57 -11.74 44.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.33 -179.698 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.84 -24.03 63.39 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.513 0.673 . . . . 0.0 109.847 179.271 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -67.88 -39.37 83.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.473 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -105.65 100.34 9.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.117 -178.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 23' ' ' VAL . 15.7 pt-20 -67.99 -173.02 0.33 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.619 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.0 OUTLIER 60.72 0.1 0.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.534 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.586 ' H ' ' C ' ' A' ' 21' ' ' GLU . 80.3 t -126.09 131.48 71.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.341 -179.519 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 40.2 p-10 -141.87 109.57 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.818 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.554 HD12 ' OG1' ' A' ' 17' ' ' THR . 90.3 mt -83.52 92.94 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.723 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -98.03 -23.6 15.7 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.702 -1.136 . . . . 0.0 108.825 178.222 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -148.68 -177.91 6.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.197 178.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -103.37 -7.11 21.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.03 0.443 . . . . 0.0 110.262 -179.435 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -105.8 -69.41 0.82 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.2 p -59.93 -44.14 94.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.662 -178.181 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.6 m -72.33 3.81 4.34 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.327 -178.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -115.79 -7.22 12.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.602 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.2 p -55.84 -34.43 65.41 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.491 -178.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 36' ' ' MET . 2.4 t -68.97 -24.6 64.26 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.762 -179.292 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 80.29 -11.05 39.43 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -178.013 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.437 ' H ' ' C ' ' A' ' 34' ' ' SER . 47.3 mmm -63.1 -29.78 71.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.246 179.351 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.33 62.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.543 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.38 -45.95 83.94 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.063 -179.109 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 4.1 m -67.25 -45.28 77.17 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.191 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.72 99.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.143 -178.451 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.21 -45.75 93.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.96 0.409 . . . . 0.0 110.434 -179.046 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mm -65.51 -43.29 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.5 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -55.78 -16.42 4.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.008 0.432 . . . . 0.0 111.265 -178.467 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -71.68 -41.24 68.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.155 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.413 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 3.9 m-85 -97.71 -15.02 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.989 -177.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.505 ' CD1' HD13 ' A' ' 74' ' ' LEU . 59.9 m-85 -131.17 92.99 31.35 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.299 -178.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -76.19 -42.98 0.33 Allowed 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.959 1.772 . . . . 0.0 111.977 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -60.82 -14.15 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.33 -68.18 0.2 Allowed 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.903 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -169.61 164.54 10.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.656 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -84.34 97.2 9.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.48 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -61.56 -23.53 66.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 120.872 0.367 . . . . 0.0 111.124 -178.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.57 -18.46 51.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.768 -179.609 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -83.99 -20.17 33.28 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.8 -172.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.238 -179.094 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -155.79 136.83 9.19 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.097 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -55.43 -25.28 47.67 Favored 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 121.952 1.768 . . . . 0.0 109.768 -179.142 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.39 89.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.373 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.05 57.83 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.471 -179.392 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -71.64 -44.7 63.89 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -52.41 -47.88 66.05 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.324 0.583 . . . . 0.0 110.181 -178.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -67.55 -34.33 76.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.503 179.349 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.527 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 19.2 t-20 -61.29 -43.62 98.57 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.466 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.459 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 41.5 m-85 -66.93 -56.2 11.28 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.7 179.318 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.9 m -51.57 -42.51 61.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 70' ' ' THR . 60.5 tp -59.83 -50.09 75.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.191 -179.498 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.74 -39.47 80.99 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.196 -178.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -76.44 -46.88 25.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.125 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.0 m -65.79 -27.86 68.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.765 -179.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 20.4 m -77.24 -51.32 11.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.189 178.451 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.09 77.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.857 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' ASP . 43.7 tp10 -71.15 -49.73 40.84 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.081 0.467 . . . . 0.0 110.627 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.36 -40.99 92.74 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.619 -178.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 46' ' ' PHE . 96.2 mt -82.98 -43.67 16.14 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -178.784 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.22 2.92 10.9 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -177.59 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.3 t70 49.34 36.98 10.61 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.747 179.444 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.6 t -49.2 -166.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.645 -178.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.7 172.25 9.39 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.194 179.543 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -127.89 36.2 4.37 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.75 -24.77 67.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.43 -178.246 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mt -114.97 142.65 46.34 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.243 0.544 . . . . 0.0 112.232 -178.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -112.75 132.49 55.2 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.245 178.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 87' ' ' VAL . 69.6 t -47.19 -53.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.601 -179.389 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -54.92 -46.26 74.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.287 -178.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.4 -44.62 95.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.9 0.381 . . . . 0.0 110.153 -179.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.459 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 12.6 mtp -61.66 -44.29 97.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.468 0.651 . . . . 0.0 110.079 179.131 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 83' ' ' VAL . 72.1 t -65.11 -44.54 95.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.241 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -70.84 -47.18 60.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.776 -179.27 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.51 -50.29 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.451 . . . . 0.0 110.603 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.73 28.28 17.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.23 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 90' ' ' ALA . 56.1 t -164.06 88.96 1.13 Allowed Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 113.748 -1.569 . . . . 0.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.15 -174.9 1.51 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.937 1.758 . . . . 0.0 111.429 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -121.15 130.47 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.382 179.356 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.6 p -48.88 -31.82 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.928 -178.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -73.29 -37.07 66.36 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.443 178.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.7 m -66.78 -52.36 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.774 -179.209 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.53 -44.09 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.8 t80 -59.2 -51.62 69.19 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.151 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.442 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 19.0 m -58.23 -43.86 87.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.25 -179.437 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -61.96 -50.61 71.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.455 0.645 . . . . 0.0 110.342 179.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.4 mm -59.88 -39.89 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.069 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -50.11 -63.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.442 ' OE1' ' O ' ' A' ' 99' ' ' THR . 2.5 mp0 -55.76 -44.16 77.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.598 0.713 . . . . 0.0 109.843 -178.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.87 -42.17 97.58 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.114 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.5 t80 -55.64 -53.0 61.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.159 -177.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -63.44 -33.55 75.8 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.289 -178.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.1 m -61.38 -37.5 83.63 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.582 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.11 -41.11 74.43 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.171 0.51 . . . . 0.0 110.926 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.92 -48.11 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -177.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.29 -40.86 98.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -62.58 -29.35 70.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.226 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.74 14.93 51.48 Favored Glycine 0 N--CA 1.465 0.588 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.097 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.93 -46.4 44.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.432 -0.884 . . . . 0.0 111.08 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.466 0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.172 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 121.039 0.447 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.4 tmt? -60.14 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.497 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 ' CE2' ' A' ' 98' ' ' TYR . 87.8 mt -63.61 -43.62 96.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.571 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.21 -47.35 86.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.42 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.77 -52.31 66.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.461 1.124 . . . . 0.0 109.91 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -54.63 -59.8 4.21 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 112.824 -1.989 . . . . 0.0 111.202 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -54.48 -45.65 73.25 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.087 0.47 . . . . 0.0 110.431 179.523 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -61.22 -50.44 73.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.664 179.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.77 -22.93 39.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.384 -179.092 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.6 mpp? -106.19 0.49 25.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.663 -179.354 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.525 ' O ' HG22 ' A' ' 17' ' ' THR . 73.9 m -109.39 -4.05 16.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.054 -179.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 20' ' ' TYR . 74.5 mtp85 -64.79 -55.48 19.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.521 0.677 . . . . 0.0 109.808 179.02 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -41.2 -24.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.017 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.532 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 24.5 m-85 -93.23 154.41 18.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.432 179.804 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.7 pm0 -121.26 174.1 6.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 -179.275 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.3 t60 61.11 0.99 0.44 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.407 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.547 ' H ' ' C ' ' A' ' 21' ' ' GLU . 75.9 t -124.14 130.62 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.823 -179.692 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 1.0 OUTLIER -145.81 108.71 4.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.64 179.571 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.7 mt -85.97 92.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.495 0.664 . . . . 0.0 112.492 -178.153 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -97.33 -23.17 16.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.065 178.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -144.92 180.0 6.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.228 178.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.429 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 63.2 m-85 -104.0 -9.3 18.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.101 0.477 . . . . 0.0 110.392 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -108.21 -69.1 0.87 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.709 -177.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.8 t -61.27 -44.19 97.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.281 -178.742 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.05 0.88 6.58 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.696 -178.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.429 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.5 m95 -113.98 -4.81 13.19 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.649 -179.117 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -61.1 -4.04 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.515 -178.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.466 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.4 m -95.34 -27.21 15.57 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.6 0.238 . . . . 0.0 111.608 -179.368 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 80.29 -15.28 18.24 Favored Glycine 0 N--CA 1.459 0.174 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 -178.127 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.466 ' H ' ' C ' ' A' ' 34' ' ' SER . 42.7 mmm -61.85 -26.39 68.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.67 -0.765 . . . . 0.0 110.319 179.87 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.21 45.0 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.923 -179.141 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.17 -46.71 82.55 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.231 -178.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 27.8 p -68.62 -43.47 76.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.796 -179.841 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.429 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.1 -42.77 99.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.218 -178.845 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.36 -43.78 98.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.031 0.443 . . . . 0.0 110.607 -178.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 42' ' ' ILE . 28.0 mm -64.58 -42.25 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 179.154 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.532 ' HD1' ' HH ' ' A' ' 20' ' ' TYR . 52.4 t-80 -56.12 -40.53 73.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 -179.018 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -51.1 -40.22 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.524 0.678 . . . . 0.0 110.745 -178.629 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.0 -45.55 19.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.637 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.55 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 15.8 m-85 -114.82 79.54 5.94 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.312 -177.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -47.24 -34.72 18.74 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.727 1.618 . . . . 0.0 111.64 -179.37 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -64.31 -16.7 62.68 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.207 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -34.25 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.156 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 2.7 p90 -170.16 166.01 9.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.858 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 43.5 t0 -79.64 95.53 5.94 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.782 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -67.27 -23.44 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.142 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.58 -11.96 59.95 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.73 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -92.61 -13.21 29.92 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.615 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.38 146.57 31.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.01 0.433 . . . . 0.0 110.955 -178.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' ALA . 19.9 m-20 -122.18 143.17 38.44 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.222 -179.578 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.36 -9.12 0.47 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.026 1.817 . . . . 0.0 110.013 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -86.79 -8.85 56.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.978 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -114.66 44.99 1.64 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.953 -178.656 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -64.91 -44.41 89.66 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.551 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -48.66 -54.84 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.222 0.534 . . . . 0.0 110.396 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 66' ' ' LEU . 88.4 m-70 -63.43 -33.24 75.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.637 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.463 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 13.6 t-20 -58.39 -45.57 88.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.151 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.448 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 59.0 m-85 -67.24 -56.8 8.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.367 179.633 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 m -52.95 -43.73 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.129 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 61.9 tp -61.7 -50.05 74.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.2 -179.659 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.02 80.65 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.938 -179.185 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -78.28 -45.92 21.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -63.09 -31.73 72.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -76.06 -48.22 21.67 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.409 178.659 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.12 -34.88 79.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.799 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 76' ' ' ASP . 43.0 tt0 -69.48 -50.1 48.49 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.625 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.48 -40.21 90.47 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.749 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.472 HD13 ' CG ' ' A' ' 46' ' ' PHE . 96.7 mt -79.26 -46.22 18.22 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.759 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.42 7.83 8.37 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 72' ' ' GLU . 71.6 m-20 49.4 40.51 18.87 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.953 179.362 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.9 t -44.55 -172.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.665 -178.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.63 172.27 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.443 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -124.13 38.73 4.13 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.6 mt -68.5 -28.63 67.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.644 -178.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mt -117.67 142.21 47.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.235 0.54 . . . . 0.0 112.332 -178.173 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.488 ' N ' ' OD2' ' A' ' 85' ' ' ASP . 81.7 mt-10 -110.48 141.79 43.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.29 179.057 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.34 -51.91 58.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.358 -178.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.24 -46.19 72.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.428 -178.742 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -64.5 -43.55 93.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.1 0.476 . . . . 0.0 110.405 -179.879 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.464 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 5.2 mtp -62.37 -44.57 96.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.577 0.703 . . . . 0.0 109.279 -179.506 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -69.85 -42.03 79.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.913 179.249 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -70.83 -47.0 61.75 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.742 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.93 -50.78 63.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.072 0.463 . . . . 0.0 110.286 -179.484 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 61.89 24.51 14.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -177.469 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 90' ' ' ALA . 54.2 t -162.36 89.32 1.38 Allowed Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.501 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.33 -175.34 1.95 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.909 1.739 . . . . 0.0 111.239 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -117.32 129.55 55.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.182 179.461 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 m -49.38 -33.58 14.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.967 -178.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -73.66 -36.22 65.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.563 179.003 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.7 m -66.01 -50.16 65.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.988 0.423 . . . . 0.0 110.691 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.27 -44.9 99.66 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.1 t80 -58.16 -50.63 72.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.121 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.9 m -58.37 -42.77 87.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.986 -179.555 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -62.41 -50.34 71.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.308 0.575 . . . . 0.0 110.133 179.435 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.439 ' CG2' HD22 ' A' ' 9' ' ' LEU . 26.7 mm -61.02 -41.36 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.966 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -49.92 -62.78 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.879 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.47 -45.74 88.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.884 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.7 tp -59.59 -45.69 91.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -53.28 -48.09 68.61 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.572 0.701 . . . . 0.0 109.659 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -60.24 -38.13 82.49 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.13 -178.498 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.8 t -60.82 -40.78 94.04 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.854 178.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.28 -37.82 81.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.15 179.518 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.35 -48.64 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.968 -178.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -64.94 -42.01 95.02 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.311 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -64.53 -19.13 65.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.141 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.98 77.38 Favored Glycine 0 N--CA 1.463 0.456 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.2 mt -72.93 -45.58 57.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.838 -0.681 . . . . 0.0 110.982 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.104 -178.981 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.038 0.447 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 tpt -59.79 -49.3 78.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 98' ' ' TYR . 95.8 mt -64.97 -45.06 87.27 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.365 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.58 -47.5 85.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.696 -179.296 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.04 -51.03 70.9 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 122.644 1.212 . . . . 0.0 109.939 179.624 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -60.75 -62.61 1.73 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 112.386 -2.188 . . . . 0.0 111.543 -179.729 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.511 ' SG ' HD22 ' A' ' 41' ' ' LEU . 2.0 t -51.55 -45.11 62.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.139 0.495 . . . . 0.0 111.335 179.558 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -58.79 -44.66 90.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.1 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.9 -32.59 46.02 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.466 -179.356 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.1 mmt -88.39 -3.72 58.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.823 -179.536 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.46 ' OG1' HD12 ' A' ' 25' ' ' ILE . 96.2 m -89.2 -13.66 37.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.501 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -65.79 -39.64 91.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.62 0.724 . . . . 0.0 109.675 179.228 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -64.67 -37.57 88.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.376 -1.283 . . . . 0.0 110.222 179.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.428 ' OH ' ' C ' ' A' ' 43' ' ' HIS . 72.4 m-85 -91.54 152.12 20.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.935 -179.424 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.7 pm0 -119.78 172.08 7.95 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.557 -179.576 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.636 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 38.1 t-80 62.38 3.93 1.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.301 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.49 ' H ' ' C ' ' A' ' 21' ' ' GLU . 69.3 t -126.95 127.81 70.13 Favored 'Isoleucine or valine' 0 C--O 1.23 0.066 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.743 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.88 111.57 6.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.853 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.46 HD12 ' OG1' ' A' ' 17' ' ' THR . 89.2 mt -87.79 84.33 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 112.25 -178.119 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -92.57 -25.19 18.46 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.059 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -143.44 -176.07 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.294 178.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.441 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 64.7 m-85 -108.17 -13.26 14.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.201 0.524 . . . . 0.0 110.456 -179.753 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.4 t -105.87 -71.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.922 -178.344 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.1 t -61.71 -44.45 96.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.303 -178.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.1 m -69.55 1.84 3.7 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.033 -178.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.441 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.2 m95 -114.32 -3.1 13.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.695 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -54.72 -32.97 60.41 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.324 -179.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.553 ' C ' ' H ' ' A' ' 36' ' ' MET . 78.3 p -67.3 -24.94 65.81 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.538 -179.241 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.48 -12.41 5.88 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 -178.308 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.553 ' H ' ' C ' ' A' ' 34' ' ' SER . 69.8 mtp -65.9 -16.65 64.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.563 -0.818 . . . . 0.0 110.359 179.644 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.3 -49.34 35.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -56.79 -44.08 81.55 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.012 -178.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 91.3 m -70.02 -45.17 67.79 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.243 -179.696 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.1 95.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.657 -178.568 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 45' ' ' PHE . 46.1 tp -66.58 -43.03 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.967 0.413 . . . . 0.0 110.976 -179.006 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.487 ' C ' ' H ' ' A' ' 44' ' ' LYS . 30.4 mm -68.37 -45.67 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.933 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 28.1 t-80 -59.36 -1.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.267 -178.575 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 42' ' ' ILE . 13.4 tmtt? -83.95 -36.53 23.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.633 -179.078 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -99.13 -17.15 18.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.681 -178.142 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CD1' HD13 ' A' ' 74' ' ' LEU . 82.1 m-85 -123.14 99.13 41.03 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.486 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.6 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -75.14 -40.37 0.89 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.814 1.676 . . . . 0.0 111.867 -179.743 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.25 14.68 0.21 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.6 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -77.13 -77.53 0.14 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.752 -179.382 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 27.0 p90 -166.95 160.54 14.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.671 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -84.43 97.15 9.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.711 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -61.55 -22.22 64.97 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.05 -179.342 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.67 -15.89 55.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.568 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -86.93 -20.38 27.43 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.56 -179.649 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.81 150.7 32.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.055 0.455 . . . . 0.0 110.849 -179.141 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.83 146.25 37.36 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.395 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -50.86 -23.5 11.86 Favored 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 122.057 1.838 . . . . 0.0 109.952 -179.498 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.61 94.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.447 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -82.51 68.98 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.503 -179.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.548 ' O ' ' ND2' ' A' ' 63' ' ' ASN . 14.5 ptm180 -84.7 -47.06 10.84 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 67.6 mtm180 -51.48 -45.61 62.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.302 0.572 . . . . 0.0 110.147 -178.337 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -64.19 -35.37 80.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -60.77 -45.17 95.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.166 0.507 . . . . 0.0 111.167 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD2' ' ND2' ' A' ' 63' ' ' ASN . 53.3 m-85 -65.7 -53.58 38.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.607 -179.518 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.495 ' OG1' HG21 ' A' ' 83' ' ' VAL . 19.4 m -57.85 -45.04 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.698 179.702 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.58 -48.07 82.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.255 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.7 79.84 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.956 -0.697 . . . . 0.0 110.055 -179.18 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 25.7 m-85 -80.91 -48.45 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.965 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 m -60.95 -29.46 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.64 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.7 m -77.82 -47.23 19.38 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.086 178.591 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -63.25 -33.95 76.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' ASP . 93.4 mt-10 -70.42 -50.47 38.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.212 0.53 . . . . 0.0 110.812 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -62.02 -40.35 95.41 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.848 -179.006 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 46' ' ' PHE . 97.1 mt -85.44 -37.98 19.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.727 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -122.59 -0.93 9.1 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -177.638 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' GLU . 57.3 t0 47.54 36.91 5.73 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.815 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.9 t -50.32 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.724 -178.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 103' ' ' GLU . . . -86.51 172.85 10.0 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.165 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -126.98 70.8 1.29 Allowed 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -101.07 -25.7 13.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.57 -178.721 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -110.35 140.57 44.41 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.171 0.51 . . . . 0.0 111.896 -178.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -115.82 126.17 53.64 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.02 179.047 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.495 HG21 ' OG1' ' A' ' 65' ' ' THR . 93.3 t -45.16 -53.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.531 -179.027 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.83 -46.42 71.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.304 -178.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -64.68 -42.83 95.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.939 0.4 . . . . 0.0 110.042 -179.623 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.482 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 4.6 mtp -62.09 -45.27 94.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.574 0.702 . . . . 0.0 109.8 179.113 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 83' ' ' VAL . 77.8 t -66.05 -43.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.851 179.324 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -70.26 -47.41 61.41 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.764 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.71 -49.05 67.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.042 0.449 . . . . 0.0 110.422 -179.546 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.23 30.19 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -177.224 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 90' ' ' ALA . 53.6 t -164.78 92.88 0.95 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 113.861 -1.518 . . . . 0.0 109.437 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -73.52 -177.69 3.23 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 C-N-CA 121.994 1.796 . . . . 0.0 111.385 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -119.3 130.25 55.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.219 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 p -48.53 -32.99 8.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.006 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -74.03 -36.34 64.42 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.66 178.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.7 m -66.17 -53.53 36.4 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -178.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.93 -44.11 97.3 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.9 t80 -58.33 -50.85 72.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.942 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.7 m -58.57 -42.69 88.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.128 -179.581 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -61.3 -51.64 68.02 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.485 0.66 . . . . 0.0 110.4 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.4 mm -60.35 -40.1 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.156 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.36 -60.71 2.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.729 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 78' ' ' ALA . 65.3 mt-10 -59.11 -46.03 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.554 -179.262 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 tp -59.45 -46.53 88.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.633 -179.483 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -52.74 -47.42 67.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.507 0.67 . . . . 0.0 109.663 -179.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.16 -41.86 97.52 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.955 -178.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.0 p -59.49 -38.75 81.69 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.899 179.145 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 114' ' ' VAL . 96.8 mt -63.76 -39.92 95.45 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.834 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.13 -46.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.429 -178.68 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.8 -51.5 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.413 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.68 -25.03 59.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.201 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.89 21.14 63.96 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.294 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.9 mt -72.01 -44.19 63.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.393 -0.904 . . . . 0.0 111.031 179.124 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' A' ' 108' ' ' LEU . 2.4 t . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.177 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.132 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -57.38 -30.48 88.05 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 C-N-CA 122.082 1.855 . . . . 0.0 109.718 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -86.76 -61.5 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.22 153.62 30.42 Favored Glycine 0 N--CA 1.463 0.461 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 m -85.65 -66.99 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.977 0.418 . . . . 0.0 110.469 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -49.41 -36.31 21.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.5 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.96 -41.12 97.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.8 OUTLIER -61.64 -48.53 80.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.257 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.436 HD12 ' CE2' ' A' ' 98' ' ' TYR . 90.9 mt -66.35 -42.55 87.94 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.89 -48.14 81.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.651 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.85 -47.89 79.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.563 1.173 . . . . 0.0 109.886 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -63.68 -61.58 2.22 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 112.426 -2.17 . . . . 0.0 111.201 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 m -51.53 -44.52 62.65 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.008 0.432 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 -60.72 -45.67 93.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.228 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.77 -27.54 3.04 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.109 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.4 mmt -91.3 -15.58 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.382 . . . . 0.0 110.656 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' TYR . 71.2 m -75.69 -17.87 59.81 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.462 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.94 -37.67 84.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.618 0.723 . . . . 0.0 109.807 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -64.54 -38.52 91.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.363 -1.289 . . . . 0.0 110.207 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.485 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 65.0 m-85 -99.53 161.94 13.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.851 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.8 mp0 -123.29 178.25 5.22 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.755 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.615 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 47.7 t-80 62.47 4.4 1.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 21' ' ' GLU . 94.6 t -123.67 128.33 74.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.759 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 40.5 p-10 -137.08 106.02 5.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.742 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.6 mt -87.87 80.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.567 0.699 . . . . 0.0 112.308 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.503 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 87.8 mt-30 -104.32 -0.58 28.05 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.232 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 26' ' ' GLN . 33.4 m120 -162.32 173.76 13.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.292 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -105.57 -12.63 15.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.97 0.414 . . . . 0.0 110.37 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -106.45 -71.39 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.755 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.2 m -60.96 -44.53 97.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.149 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -68.32 0.77 3.5 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.822 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -114.65 -3.61 12.86 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.682 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.0 t -56.73 -19.16 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.469 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.535 ' C ' ' H ' ' A' ' 36' ' ' MET . 6.5 m -82.09 -22.71 36.15 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.584 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 74.71 -12.48 6.09 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.604 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 94.2 mtp -65.0 -20.04 66.3 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.675 -0.763 . . . . 0.0 110.079 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.4 -48.84 47.31 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.639 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -57.05 -41.99 79.72 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.015 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.565 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 21.1 p -71.25 -45.0 64.2 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.06 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.565 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.51 -42.96 99.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.526 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.19 -43.49 98.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 110.659 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.8 mm -67.63 -43.47 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.408 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 34.5 t-80 -56.66 -14.3 3.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.996 0.427 . . . . 0.0 111.341 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -71.45 -39.74 70.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.858 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.88 -14.83 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.912 -177.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -127.02 99.28 28.94 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.293 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -75.65 -36.74 2.03 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.959 1.773 . . . . 0.0 111.737 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -66.91 -16.69 64.49 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.8 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.124 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 6.7 p90 -168.82 162.99 11.71 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.711 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -80.64 97.62 7.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -61.58 -25.48 67.35 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.884 0.373 . . . . 0.0 111.056 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.88 -12.84 60.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.751 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -94.54 -10.67 31.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.654 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.56 154.01 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.088 0.471 . . . . 0.0 110.965 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -131.22 165.0 38.44 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.113 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -76.86 -1.27 11.4 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.351 2.034 . . . . 0.0 109.977 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.18 -44.05 60.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.289 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 19.4 ptmt -97.46 63.58 1.79 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.726 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -65.07 -42.21 94.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -52.72 -47.96 66.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.699 -178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -66.65 -35.86 81.17 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.995 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 16.4 t-20 -60.7 -42.08 96.47 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.542 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.531 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.8 m-85 -68.89 -53.84 18.9 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.687 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.1 m -56.64 -43.27 80.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 70' ' ' THR . 65.4 tp -61.88 -49.48 76.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.141 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.61 -39.41 80.36 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.899 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 41.7 m-85 -79.81 -49.43 12.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.249 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 m -61.09 -30.39 70.32 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 24.0 m -75.78 -50.47 15.11 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.295 178.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.17 72.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' ASP . 74.6 tt0 -70.04 -51.89 28.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.112 0.482 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.56 -38.93 91.98 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.988 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.38 -38.92 19.68 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.43 1.26 8.34 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 72' ' ' GLU . 59.7 t0 48.34 37.24 8.24 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.839 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 76' ' ' ASP . 18.6 p -47.06 -167.87 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.546 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.42 172.86 9.07 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.306 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -124.37 40.87 3.63 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.987 0.422 . . . . 0.0 109.872 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -71.28 -28.8 64.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.662 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.8 mt -112.05 143.15 43.54 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 121.198 0.523 . . . . 0.0 112.26 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -113.8 131.06 56.37 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.144 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 87' ' ' VAL . 77.7 t -49.23 -53.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.719 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -54.54 -45.04 73.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.305 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -62.01 -44.44 96.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.93 0.395 . . . . 0.0 110.212 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.531 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 9.2 mtp -60.89 -43.56 98.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.083 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' VAL . 71.3 t -63.63 -44.69 98.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.109 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -71.77 -48.62 45.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.565 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.86 -51.66 63.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.037 0.446 . . . . 0.0 110.5 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.13 28.84 18.25 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -177.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 90' ' ' ALA . 55.8 t -163.51 92.64 1.12 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 113.788 -1.551 . . . . 0.0 109.423 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.03 -178.49 3.58 Favored 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 121.939 1.76 . . . . 0.0 111.39 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -117.95 131.23 56.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.458 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.3 m -48.45 -33.72 9.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.946 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -74.18 -34.64 63.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.429 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.9 m -67.78 -52.92 31.49 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.068 0.461 . . . . 0.0 110.745 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.26 -44.17 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 19.6 t80 -60.89 -50.92 71.47 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.097 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.43 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 86.5 m -59.66 -42.93 93.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.694 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -61.13 -50.88 71.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.505 0.669 . . . . 0.0 110.028 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.4 mm -59.85 -38.04 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.119 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -53.6 -57.32 11.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' A' ' 99' ' ' THR . 1.6 mp0 -60.34 -46.18 90.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.588 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.5 tp -60.38 -44.69 95.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.638 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -53.24 -48.53 68.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.573 0.701 . . . . 0.0 109.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.65 -44.45 93.54 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.106 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.7 t -57.41 -40.83 79.12 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.836 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.02 -39.45 94.8 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.72 -47.14 94.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.436 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -63.67 -52.83 58.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -53.99 -26.13 24.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.215 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.36 20.39 64.52 Favored Glycine 0 N--CA 1.464 0.504 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 mt -72.31 -45.03 61.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.48 -0.86 . . . . 0.0 111.101 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.52 -32.71 58.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.242 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.47 59.74 3.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.92 0.39 . . . . 0.0 110.102 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 95.8 m -84.25 -48.54 9.66 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.391 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -141.13 126.98 19.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.36 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.544 ' CD ' ' H ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -73.27 160.94 31.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.446 -179.479 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -71.17 142.49 41.93 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.271 1.981 . . . . 0.0 110.344 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 5' ' ' SER . 58.3 mt -104.9 -13.13 15.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.531 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.7 68.64 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 3' ' ' LEU . 8.8 t -62.15 -54.38 41.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 110.401 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.22 -7.39 12.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.639 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -63.09 -36.95 85.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.97 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 tpt -60.64 -46.46 90.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.284 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.444 HD12 ' CE2' ' A' ' 98' ' ' TYR . 88.4 mt -62.45 -43.58 98.48 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.353 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.67 -48.03 82.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.812 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -58.74 -52.37 65.97 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.661 1.22 . . . . 0.0 110.233 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -58.16 -63.75 1.16 Allowed 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 112.212 -2.267 . . . . 0.0 111.435 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.46 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.8 t -51.86 -50.08 61.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.122 0.487 . . . . 0.0 111.067 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -54.9 -44.58 74.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.36 -31.25 61.6 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.777 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.0 -29.07 14.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.169 -178.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -81.98 -12.41 58.36 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.709 0.63 . . . . 0.0 111.15 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -62.15 -61.19 2.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.708 0.766 . . . . 0.0 109.064 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -47.37 -23.48 0.59 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.883 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -90.99 103.38 16.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.663 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.568 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -68.02 174.39 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.612 -179.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 17.0 t-80 63.5 -1.59 0.57 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.925 0.869 . . . . 0.0 108.719 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.568 ' H ' ' C ' ' A' ' 21' ' ' GLU . 67.1 t -128.74 129.46 68.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.198 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' O ' ' OG ' ' A' ' 31' ' ' SER . 67.7 t0 -152.28 110.95 3.78 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.565 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 mt -73.83 105.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.629 0.728 . . . . 0.0 112.96 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.4 ' H ' ' CB ' ' A' ' 31' ' ' SER . 62.2 tt0 -105.77 -11.08 16.4 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.493 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 11.5 t-20 -172.76 -173.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.32 179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.502 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 50.6 m-85 -103.68 -13.2 16.58 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.063 0.459 . . . . 0.0 110.379 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -105.99 -71.15 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.806 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -59.94 -43.81 94.76 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.484 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 7.2 t -71.91 0.07 10.13 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.103 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.419 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 33.3 m95 -112.26 -6.2 14.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.817 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.8 m -63.74 0.02 0.91 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.31 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.9 m -96.37 -25.86 15.57 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.599 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.517 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 79.24 -14.8 13.77 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 108.922 -1.671 . . . . 0.0 108.922 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.478 ' H ' ' C ' ' A' ' 34' ' ' SER . 63.1 mmm -61.95 -28.98 69.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.538 -0.831 . . . . 0.0 110.071 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.44 59.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.684 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -56.98 -47.13 81.5 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.273 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.516 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 88.3 m -67.6 -44.81 77.17 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.55 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.761 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.5 tp -65.0 -42.12 94.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.05 0.452 . . . . 0.0 110.878 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.4 mm -66.88 -44.36 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.588 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 34.9 t-80 -57.5 -14.33 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.977 0.418 . . . . 0.0 111.246 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -70.31 -39.99 74.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.507 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -102.81 -12.27 17.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.766 -177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 74' ' ' LEU . 97.0 m-85 -128.73 94.75 33.99 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.296 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.93 -36.69 2.46 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.809 1.672 . . . . 0.0 111.528 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -65.77 -14.2 60.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.36 -75.82 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 114.466 -1.243 . . . . 0.0 112.16 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.422 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 7.9 p90 -168.48 162.8 12.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.607 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -84.21 96.98 9.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 38.6 t80 -60.13 -21.29 61.4 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.93 -16.74 52.69 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.647 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -90.38 -17.51 27.14 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.608 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.3 mt -80.07 152.15 29.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 111.266 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 1.9 p30 -122.56 162.64 37.17 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.333 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.27 -13.32 20.91 Favored 'Trans proline' 0 N--CA 1.49 1.275 0 C-N-CA 122.189 1.926 . . . . 0.0 110.01 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.47 77.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.342 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -92.25 56.16 2.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.329 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 20.3 ptp180 -67.62 -43.03 81.4 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 83.2 mtp180 -51.52 -46.67 63.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.262 0.553 . . . . 0.0 110.276 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -67.67 -33.33 74.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.598 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 23.9 t30 -61.31 -42.69 99.09 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.184 0.516 . . . . 0.0 110.56 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.49 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 47.3 m-85 -68.89 -52.54 28.49 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.652 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.0 m -55.2 -43.31 74.29 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.47 -47.42 86.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.902 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -59.47 -39.0 82.27 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.972 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -80.7 -49.65 10.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.974 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.2 p -62.4 -30.79 71.46 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.6 m -78.08 -46.92 19.49 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.424 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.04 79.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 33.4 tp10 -70.52 -49.63 46.27 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.739 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -60.63 -39.83 89.69 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.476 -0.889 . . . . 0.0 110.894 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.8 mt -80.24 -45.99 17.03 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.68 5.96 10.0 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 78.8 m-20 48.17 34.34 4.32 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.958 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.457 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.7 t -48.82 -166.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.811 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.24 171.77 10.39 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.26 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -130.89 40.7 3.45 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.28 -25.25 66.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.598 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mt -112.97 142.93 45.1 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.17 0.509 . . . . 0.0 112.26 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -112.31 132.57 54.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.051 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 87' ' ' VAL . 87.9 t -49.29 -54.16 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.899 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -55.27 -46.42 76.15 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.375 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -58.93 -45.5 90.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.868 0.366 . . . . 0.0 110.369 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.0 mtp -62.55 -43.35 99.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.427 0.632 . . . . 0.0 109.859 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 83' ' ' VAL . 64.2 t -62.84 -46.84 95.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.07 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -71.0 -47.15 60.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.997 0.427 . . . . 0.0 111.421 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.51 -51.54 62.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.074 0.464 . . . . 0.0 110.392 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 58.65 26.69 14.83 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -177.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 90' ' ' ALA . 72.5 t -162.09 89.96 1.41 Allowed Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 113.784 -1.553 . . . . 0.0 109.534 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -72.5 -173.14 1.06 Allowed 'Trans proline' 0 N--CA 1.488 1.183 0 C-N-CA 121.975 1.783 . . . . 0.0 111.46 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -119.35 130.97 55.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.208 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.8 m -48.2 -34.36 9.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.035 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' O ' ' OG1' ' A' ' 99' ' ' THR . 63.5 pttt -77.79 -31.01 51.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.695 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.9 m -66.29 -53.7 33.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.643 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.06 -43.02 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 21.5 t80 -58.57 -50.86 72.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.839 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 19.4 m -58.52 -44.22 89.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.124 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -61.67 -51.41 68.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.503 0.668 . . . . 0.0 110.324 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.5 mm -58.97 -37.71 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.011 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -55.19 -56.86 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.707 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -59.43 -46.27 89.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.714 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.95 -45.23 93.32 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -54.36 -48.66 71.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.51 0.671 . . . . 0.0 109.943 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -60.21 -42.68 95.68 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.976 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.7 t -58.95 -40.73 85.58 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.341 -0.544 . . . . 0.0 109.758 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.08 -40.76 96.9 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.987 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.39 -46.76 95.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.728 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -61.46 -49.91 74.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.67 -18.33 53.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.24 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.61 20.93 75.95 Favored Glycine 0 N--CA 1.464 0.563 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.4 mt -72.96 -44.77 60.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.368 -0.916 . . . . 0.0 111.171 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.75 -34.77 69.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.278 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -81.0 52.91 1.86 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.237 0.542 . . . . 0.0 110.187 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -90.28 -3.86 57.52 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.242 -179.373 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.91 52.09 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.557 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 116' ' ' THR . 5.6 mtpm? -126.6 150.26 48.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.074 0.464 . . . . 0.0 109.823 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 51.3 tptt . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.355 -179.742 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.531 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 2.7 Cg_endo -69.7 -31.18 21.3 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.169 1.913 . . . . 0.0 110.357 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 mt -80.91 -43.79 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.802 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.36 64.24 3.27 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -68.23 -63.87 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.894 0.378 . . . . 0.0 110.624 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -100.07 1.02 41.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.484 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -65.1 -39.97 93.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.044 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -58.87 -47.49 84.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.377 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.438 HD22 ' CG2' ' A' ' 101' ' ' ILE . 88.2 mt -65.37 -44.01 88.95 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.54 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.04 -46.94 88.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.525 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -56.72 -48.15 78.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.591 1.186 . . . . 0.0 110.129 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -64.01 -62.31 1.71 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 112.26 -2.245 . . . . 0.0 111.053 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 m -51.32 -45.8 62.37 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.8 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' O ' ' OG1' ' A' ' 17' ' ' THR . 61.4 ttt-85 -60.41 -45.49 93.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.67 0.748 . . . . 0.0 110.38 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.18 -25.99 4.16 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.279 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.5 mmt -88.77 -23.83 22.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.488 ' O ' ' O ' ' A' ' 20' ' ' TYR . 68.9 p -70.0 -15.17 62.98 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.39 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -64.82 -43.41 93.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 109.533 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.32 -37.32 87.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.072 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.518 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 79.7 m-85 -94.84 155.4 16.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.941 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 23' ' ' VAL . 99.7 mt-10 -118.64 173.29 6.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.717 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.634 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 37.5 t-80 63.21 6.81 2.51 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.442 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 79.6 t -122.87 125.38 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.855 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 78.8 m-20 -142.92 105.27 4.44 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.668 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.15 99.37 3.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.651 0.739 . . . . 0.0 112.833 -178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -97.72 -27.46 14.33 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.847 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 65.0 t30 -152.8 -170.88 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 44.7 m-85 -104.32 -8.77 19.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.006 0.432 . . . . 0.0 110.325 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 30' ' ' SER . 88.2 p -106.78 -70.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.806 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.415 ' N ' ' OG ' ' A' ' 29' ' ' SER . 11.8 t -61.55 -43.53 98.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.341 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.424 ' HB3' ' H ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -70.65 0.5 6.81 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.808 -178.598 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -114.25 -4.29 13.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.618 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.3 m -63.23 -6.04 4.0 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.234 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 36' ' ' MET . 23.9 m -93.29 -25.88 17.56 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.525 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 80.38 -15.49 17.86 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 108.881 -1.688 . . . . 0.0 108.881 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.591 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 27.2 mtt -61.84 -28.86 69.79 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.518 -0.841 . . . . 0.0 110.192 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.66 -50.26 58.72 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.647 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.62 -45.01 90.12 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.122 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 12.2 m -69.22 -46.95 66.13 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.0 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.518 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -62.79 -42.42 99.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.368 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.5 -43.86 96.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.935 0.398 . . . . 0.0 110.769 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 44' ' ' LYS . 2.9 mm -67.73 -43.47 86.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.793 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 43.7 t-80 -57.7 -5.64 0.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.288 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 42' ' ' ILE . 3.7 tmtt? -85.31 -35.9 21.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.349 0.595 . . . . 0.0 111.256 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -86.58 -36.4 18.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.876 -178.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -121.87 105.48 37.81 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.485 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.595 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -72.96 -34.49 6.44 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.929 1.753 . . . . 0.0 111.731 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -72.52 14.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.595 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -73.55 -76.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.559 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.506 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.5 p90 -168.73 162.39 11.62 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.784 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -83.24 97.91 9.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.63 -21.69 66.5 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.889 0.376 . . . . 0.0 110.995 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.54 -15.14 58.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.709 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -90.48 -11.79 39.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.4 mt -85.62 150.37 24.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -124.81 167.22 16.6 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.191 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -75.25 -6.56 18.04 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 122.236 1.957 . . . . 0.0 110.012 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.14 -46.19 52.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -94.23 60.96 2.81 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.423 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -67.78 -45.98 73.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -50.69 -51.9 45.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.257 0.551 . . . . 0.0 110.421 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -61.16 -34.15 74.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.763 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 26.7 t30 -62.09 -42.01 98.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.519 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 47.0 m-85 -69.05 -54.03 17.29 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.695 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.475 ' OG1' HG21 ' A' ' 83' ' ' VAL . 18.5 m -53.61 -42.55 67.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.405 HD21 ' CG ' ' A' ' 50' ' ' PHE . 64.5 tp -60.7 -48.4 81.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.066 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.66 -37.65 82.24 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.136 -0.625 . . . . 0.0 109.883 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -79.08 -51.54 9.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.2 t -61.29 -28.16 68.99 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.011 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.9 m -78.15 -46.93 19.32 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.262 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.532 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -65.29 -34.57 78.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.99 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 92.1 mt-10 -71.19 -50.78 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.044 0.449 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -58.91 -39.44 81.54 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 119.791 -0.764 . . . . 0.0 110.759 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.7 mt -79.4 -50.02 11.46 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.552 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -118.7 7.23 11.63 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -177.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.4 t70 47.76 37.48 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.022 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 8.4 m -49.28 -166.15 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.499 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.94 171.18 10.98 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.341 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -127.32 40.31 3.73 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.04 -27.0 67.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.687 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.9 mt -113.3 142.28 46.02 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.196 0.522 . . . . 0.0 112.356 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -113.05 134.31 54.58 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.983 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.475 HG21 ' OG1' ' A' ' 65' ' ' THR . 56.1 t -50.27 -54.23 9.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.811 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.58 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 20.0 p30 -53.49 -44.7 69.26 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.491 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.58 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 98.2 m-20 -62.42 -43.57 98.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.084 0.469 . . . . 0.0 110.176 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.506 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 5.8 mtp -60.22 -43.02 96.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.118 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.0 t -62.65 -45.75 98.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.117 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -72.91 -50.96 20.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.925 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.19 -58.17 9.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.306 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.03 26.51 15.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 91' ' ' VAL . 77.7 t -160.91 60.37 1.28 Allowed Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.795 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.485 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.6 Cg_endo -45.29 179.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.013 1.809 . . . . 0.0 111.332 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -114.27 129.8 56.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.312 0.577 . . . . 0.0 110.388 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -48.69 -32.96 9.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.897 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -77.08 -31.51 56.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.446 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.4 m -67.15 -54.79 18.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.53 -43.72 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -57.75 -51.43 69.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.322 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.9 m -57.92 -43.21 86.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.034 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -61.59 -49.78 75.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.436 0.636 . . . . 0.0 110.084 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.438 ' CG2' HD22 ' A' ' 9' ' ' LEU . 28.0 mm -62.16 -41.98 93.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.935 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -47.42 -68.07 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 104' ' ' LEU . 1.3 pp20? -56.75 -44.3 81.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.844 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.544 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 15.3 tp -60.8 -46.29 91.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.464 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -52.48 -47.36 66.59 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.56 0.695 . . . . 0.0 109.568 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -60.85 -40.15 91.77 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.017 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.9 m -59.83 -39.09 83.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.954 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.2 mt -69.45 -37.32 77.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.241 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.52 -47.8 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.765 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.401 ' H ' ' HG2' ' A' ' 110' ' ' GLN . 5.8 pt20 -65.7 -43.87 87.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -61.03 -25.41 66.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.311 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.61 19.19 58.74 Favored Glycine 0 N--CA 1.464 0.545 0 N-CA-C 109.791 -1.323 . . . . 0.0 109.791 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 113' ' ' LEU . 17.8 mt -76.25 -41.24 49.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.515 -0.843 . . . . 0.0 110.976 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -63.4 -36.22 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.262 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -107.2 107.51 18.49 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.859 0.361 . . . . 0.0 110.453 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.52 -44.66 4.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.211 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -138.66 124.61 19.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.342 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.401 ' O ' ' OXT' ' A' ' 119' ' ' LYS . 26.5 ttpt -81.12 149.82 29.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.009 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.401 ' OXT' ' O ' ' A' ' 118' ' ' LYS . 4.7 mmtp . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.814 -1.088 . . . . 0.0 110.599 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -70.21 -21.64 31.13 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.28 1.987 . . . . 0.0 110.153 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 mt -87.67 -25.11 23.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.659 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.15 41.02 18.67 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -66.52 -62.51 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.949 0.404 . . . . 0.0 110.823 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -72.29 -9.75 58.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.815 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -61.42 -40.54 94.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.734 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.8 tpt -61.03 -46.2 91.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.441 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD22 ' CG2' ' A' ' 101' ' ' ILE . 87.4 mt -64.44 -42.93 95.72 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.513 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.83 -46.17 90.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.337 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -57.7 -49.81 75.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 122.675 1.226 . . . . 0.0 109.882 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -63.06 -64.75 0.82 Allowed 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 112.495 -2.139 . . . . 0.0 111.215 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.433 ' SG ' HD22 ' A' ' 41' ' ' LEU . 1.8 t -50.49 -48.85 56.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.031 0.443 . . . . 0.0 111.225 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.46 -49.53 76.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.344 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.62 -16.55 0.65 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.262 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.3 mtt -114.7 -1.37 13.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.84 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.13 -13.7 16.69 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.158 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' TYR . 52.9 ttt180 -59.99 -64.58 0.9 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.586 0.708 . . . . 0.0 109.388 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.547 ' OD1' ' N ' ' A' ' 19' ' ' ASN . 2.9 p-10 -45.68 -24.34 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.62 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.407 ' N ' ' C ' ' A' ' 18' ' ' ARG . 39.6 m-85 -90.61 98.77 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.526 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.607 ' C ' ' H ' ' A' ' 23' ' ' VAL . 53.0 mp0 -68.87 176.99 2.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.591 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 23.0 t-80 61.45 -1.99 0.27 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.607 ' H ' ' C ' ' A' ' 21' ' ' GLU . 58.9 t -126.16 130.65 72.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.121 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -145.38 107.31 4.3 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.1 mt -86.96 87.66 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.553 0.692 . . . . 0.0 112.727 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -92.65 -22.39 19.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.107 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 29' ' ' SER . 45.5 t30 -148.25 -176.13 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.836 -1.074 . . . . 0.0 108.105 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 58.1 m-85 -106.2 -11.89 15.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.884 0.373 . . . . 0.0 110.431 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.652 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 50.3 m -105.05 -72.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.643 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.9 p -61.87 -43.22 99.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.084 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.46 1.17 3.24 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.776 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.414 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 27.0 m95 -113.03 -2.25 14.26 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.418 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.9 t -63.35 -1.71 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.253 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 36' ' ' MET . 93.1 p -94.13 -25.68 17.04 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.08 -14.48 10.99 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -178.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.591 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 29.8 mtt -66.16 -27.98 68.43 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.567 -0.816 . . . . 0.0 110.274 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.94 -51.43 61.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.291 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -57.5 -36.92 72.15 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.933 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 86.2 m -78.16 -45.6 22.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.056 0.455 . . . . 0.0 111.449 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.81 97.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.663 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD22 ' SG ' ' A' ' 13' ' ' CYS . 66.9 tp -62.3 -44.74 95.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.801 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 44' ' ' LYS . 30.5 mm -66.11 -43.39 92.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.598 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 28.5 t-80 -53.92 -9.86 0.27 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.387 -178.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 42' ' ' ILE . 4.6 tmtm? -84.74 -35.52 22.41 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.454 0.645 . . . . 0.0 111.238 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -84.43 -39.62 18.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.947 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CG ' HD13 ' A' ' 74' ' ' LEU . 16.3 m-85 -124.83 104.17 30.47 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.303 -178.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.524 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.4 Cg_exo -71.57 -30.67 14.61 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.902 1.735 . . . . 0.0 111.813 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.48 5.12 2.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -64.66 -74.07 0.11 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.835 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.408 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.8 p90 -168.84 162.5 11.43 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.658 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -83.54 95.14 8.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -58.39 -21.41 50.24 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.934 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.84 -17.65 43.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.306 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -85.49 -21.6 28.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.6 mt -76.38 151.11 36.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -122.15 165.91 18.97 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.321 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.16 -13.49 21.07 Favored 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.285 1.99 . . . . 0.0 110.212 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.4 -42.54 78.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.433 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -89.45 69.45 7.98 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.97 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -74.54 -52.15 12.68 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.456 -0.497 . . . . 0.0 112.158 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -50.96 -47.4 61.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.266 0.555 . . . . 0.0 110.317 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -63.83 -33.8 76.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.102 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.511 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 42.1 t30 -61.95 -42.63 99.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 45.4 m-85 -69.74 -51.8 31.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.06 -0.656 . . . . 0.0 109.785 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -54.93 -42.09 71.82 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.3 tp -59.53 -49.01 79.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.012 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.62 -36.65 79.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.217 -0.593 . . . . 0.0 110.071 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.81 -55.64 4.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.989 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -58.67 -29.6 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.428 HG22 HD12 ' A' ' 74' ' ' LEU . 92.9 m -75.83 -48.98 19.32 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.279 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.429 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -64.16 -29.65 70.75 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.957 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 64.2 mm-40 -70.97 -53.3 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.907 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.57 -37.27 80.75 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.495 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.432 HD13 ' CG ' ' A' ' 46' ' ' PHE . 96.9 mt -76.16 -51.43 12.16 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.33 11.08 8.05 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' GLU . 27.8 t70 46.4 38.85 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.957 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 63.9 m -50.03 -164.82 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.496 -178.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.74 171.48 10.39 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.008 -0.997 . . . . 0.0 110.333 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -132.76 41.95 3.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.159 0.504 . . . . 0.0 109.766 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.99 -23.43 66.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.434 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 mt -116.76 141.82 47.71 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 121.183 0.516 . . . . 0.0 112.099 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -109.93 133.37 53.25 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.362 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 87' ' ' VAL . 70.3 t -47.89 -52.71 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.506 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -55.89 -44.93 78.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.106 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.37 -44.33 97.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.942 0.401 . . . . 0.0 110.291 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.495 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 8.1 mtp -61.72 -42.69 99.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.482 0.658 . . . . 0.0 109.63 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 83' ' ' VAL . 70.5 t -65.08 -44.11 95.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.075 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -71.63 -47.88 51.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.585 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.3 mt -65.91 -50.34 64.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.065 0.46 . . . . 0.0 110.624 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 60.08 28.04 17.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 90' ' ' ALA . 54.8 t -163.47 94.59 1.08 Allowed Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 113.902 -1.499 . . . . 0.0 109.405 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -72.04 178.31 6.1 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.741 1.627 . . . . 0.0 111.477 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.99 131.97 54.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.534 0.683 . . . . 0.0 110.279 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.8 p -50.57 -37.43 39.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.889 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -77.81 -29.67 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.468 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.2 m -66.46 -53.05 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.352 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.9 -44.75 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.4 t80 -58.55 -51.07 71.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.122 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.0 m -58.41 -43.59 88.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.271 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.09 -50.63 72.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.359 0.6 . . . . 0.0 110.225 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.41 ' CG2' HD22 ' A' ' 9' ' ' LEU . 26.6 mm -61.18 -40.69 86.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.155 179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -51.25 -61.77 2.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.777 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.68 -46.24 89.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.801 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.436 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 39.6 tp -60.33 -46.0 91.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.657 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -52.29 -46.22 65.83 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.633 0.73 . . . . 0.0 109.472 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -62.74 -37.86 88.26 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.019 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.9 m -60.0 -38.54 82.92 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.836 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.8 mt -70.52 -38.25 74.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.56 -48.64 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.75 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 111' ' ' LYS . 15.3 pt20 -63.38 -41.8 98.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 1.4 tppp? -60.5 -27.83 67.89 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.74 17.04 60.56 Favored Glycine 0 N--CA 1.462 0.424 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.84 -55.96 5.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.446 -0.877 . . . . 0.0 111.007 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.3 t -66.87 -38.54 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.527 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -76.3 71.22 2.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.499 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 96.6 m -71.14 -50.16 36.42 Favored 'General case' 0 N--CA 1.46 0.067 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.527 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -141.8 73.92 1.43 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.975 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -105.77 141.71 36.75 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.52 -179.845 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -69.95 -27.2 25.84 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.291 1.994 . . . . 0.0 110.493 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.0 mt -84.2 -6.17 59.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.162 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.17 63.92 0.54 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -68.91 -45.38 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.932 0.396 . . . . 0.0 111.183 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -100.7 0.14 38.45 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.642 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -66.49 -40.48 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.242 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.0 tpt -57.19 -49.4 76.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.287 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 98' ' ' TYR . 87.0 mt -64.98 -44.11 90.4 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.18 0.515 . . . . 0.0 110.644 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.09 -46.9 88.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.548 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -59.75 -53.7 54.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.532 1.158 . . . . 0.0 109.776 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -54.2 -60.33 3.48 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.384 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' THR . 6.3 t -54.17 -47.09 72.38 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.956 0.407 . . . . 0.0 110.792 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -59.15 -46.87 87.23 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.483 0.659 . . . . 0.0 110.654 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 -23.94 50.01 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.457 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.5 mtm -119.07 -4.38 10.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.155 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 13' ' ' CYS . 97.0 m -107.2 -11.04 15.69 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.516 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' C ' ' N ' ' A' ' 20' ' ' TYR . 62.0 ttm-85 -70.45 -48.91 53.67 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.466 0.65 . . . . 0.0 109.281 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -47.54 -22.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.773 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.449 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 27.5 m-85 -88.88 107.68 19.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.957 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.542 ' C ' ' H ' ' A' ' 23' ' ' VAL . 47.2 mp0 -68.97 172.09 7.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.553 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.565 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 23.5 t-80 63.52 -0.98 0.63 Allowed 'General case' 0 CA--C 1.527 0.079 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.542 ' H ' ' C ' ' A' ' 21' ' ' GLU . 57.4 t -128.94 129.68 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.947 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 30.4 p-10 -148.56 110.37 4.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.487 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.97 103.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.549 0.69 . . . . 0.0 112.762 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.578 ' H ' ' CB ' ' A' ' 31' ' ' SER . 57.5 tt0 -104.08 -14.68 15.81 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.9 -1.046 . . . . 0.0 108.937 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 58.9 t30 -175.45 -169.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.344 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.417 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 57.4 m-85 -101.3 -11.21 19.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.022 0.439 . . . . 0.0 110.439 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.4 m -108.48 -68.33 0.92 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.378 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -60.06 -44.73 94.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.072 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.578 ' CB ' ' H ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -71.71 0.84 7.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.775 -178.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.417 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 34.9 m95 -115.49 -7.69 12.23 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.629 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -56.61 -24.75 50.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.411 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.2 m -76.35 -22.91 54.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.537 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.17 -11.43 23.1 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 108.712 -1.755 . . . . 0.0 108.712 -178.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.48 ' H ' ' C ' ' A' ' 34' ' ' SER . 57.8 mmm -63.56 -29.8 71.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.491 -0.855 . . . . 0.0 110.193 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.51 -53.2 58.35 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.837 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.39 -45.65 84.26 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.109 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 7.0 m -65.57 -46.35 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.165 0.507 . . . . 0.0 111.113 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.09 98.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.319 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD13 ' SG ' ' A' ' 13' ' ' CYS . 56.0 tp -62.7 -44.4 96.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.6 mm -66.25 -43.95 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.529 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.449 ' CG ' ' HH ' ' A' ' 20' ' ' TYR . 28.1 t-80 -56.16 -12.43 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.069 0.461 . . . . 0.0 111.267 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -79.17 -38.64 35.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.689 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -83.26 -37.92 22.87 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.429 ' CG ' HD13 ' A' ' 74' ' ' LEU . 13.4 m-85 -123.42 106.76 32.58 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.471 -177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -71.84 -29.34 15.55 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 121.912 1.741 . . . . 0.0 111.943 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -68.04 -16.07 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.69 -77.67 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.167 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -169.68 162.96 9.95 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.54 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -83.0 95.14 7.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.052 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 26.9 t80 -61.04 -20.71 62.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.29 -17.62 51.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.583 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -87.55 -14.52 39.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.589 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.9 mt -81.14 149.83 28.97 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.221 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 58' ' ' ALA . 71.9 m-20 -124.78 145.78 50.86 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.23 -11.43 1.08 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.91 1.74 . . . . 0.0 110.161 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.461 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.92 -43.45 68.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.012 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.06 75.97 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.137 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -83.14 -49.57 9.35 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -51.11 -45.57 61.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.245 0.545 . . . . 0.0 110.107 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -67.36 -34.72 77.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.643 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 29.0 t30 -61.2 -42.22 98.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.799 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.503 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 54.9 m-85 -69.45 -54.02 16.36 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.816 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.477 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.6 m -56.01 -42.62 76.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' HA ' ' HG ' ' A' ' 69' ' ' SER . 50.8 tp -61.47 -47.65 84.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.847 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.409 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.06 -37.14 78.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.266 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -82.48 -48.79 10.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.779 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.406 ' HG ' ' HA ' ' A' ' 66' ' ' LEU . 87.9 p -63.31 -31.08 72.14 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.704 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -76.33 -50.27 14.71 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.44 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.449 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -65.23 -31.66 72.93 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.557 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 79.5 tt0 -69.96 -50.27 43.52 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.773 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -62.83 -35.99 81.72 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.4 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.429 HD13 ' CG ' ' A' ' 46' ' ' PHE . 99.0 mt -76.81 -47.3 21.89 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.454 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.01 9.2 8.09 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 97.1 m-20 47.03 37.63 5.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.939 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.5 m -49.38 -164.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.615 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.03 169.02 13.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.493 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.76 37.4 3.96 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.065 0.459 . . . . 0.0 110.055 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.54 -21.84 64.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.49 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -110.59 142.62 42.17 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.11 0.481 . . . . 0.0 112.002 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -114.45 131.99 56.42 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.377 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.477 HG21 ' OG1' ' A' ' 65' ' ' THR . 65.2 t -48.93 -54.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.686 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -54.39 -45.97 73.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.445 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.35 -44.89 95.12 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.503 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 12.8 mtp -62.72 -44.2 96.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.476 0.655 . . . . 0.0 109.753 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.2 t -69.03 -42.34 82.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.077 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -71.46 -47.04 58.23 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 77.4 mt -64.54 -51.41 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.459 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 66.48 21.24 10.83 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 90' ' ' ALA . 53.9 t -162.93 92.59 1.2 Allowed Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 113.707 -1.588 . . . . 0.0 109.445 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -71.95 179.91 4.44 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 C-N-CA 121.783 1.655 . . . . 0.0 111.404 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -113.19 128.77 56.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.194 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.9 m -49.37 -33.95 14.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.023 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' O ' HG22 ' A' ' 99' ' ' THR . 55.4 tttp -72.81 -36.34 67.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 30.0 m -67.02 -42.51 84.78 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 121.388 0.614 . . . . 0.0 110.383 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.19 -44.82 80.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 23.7 t80 -60.7 -52.79 63.61 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.661 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 100' ' ' TYR . 15.0 t -61.62 -40.57 95.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.914 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.466 ' N ' HG23 ' A' ' 99' ' ' THR . 58.9 t80 -62.78 -51.66 66.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.189 0.519 . . . . 0.0 110.158 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 105' ' ' TYR . 24.0 mm -59.48 -36.72 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.307 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -54.41 -57.84 9.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.426 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.15 -46.61 87.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.592 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.37 -44.21 97.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' ILE . 89.3 t80 -53.74 -48.76 69.34 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.785 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -59.0 -43.62 91.52 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.834 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.8 m -57.28 -37.69 72.78 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.932 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.31 -40.11 81.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.425 HG13 ' NZ ' ' A' ' 115' ' ' LYS . 56.8 t -62.16 -48.48 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.012 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -64.34 -43.53 94.32 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.533 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -60.02 -27.09 66.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.228 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.46 17.58 60.18 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.1 mt -75.19 -45.6 39.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.952 -0.624 . . . . 0.0 111.043 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.86 -38.94 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.442 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.425 ' NZ ' HG13 ' A' ' 109' ' ' VAL . 64.5 mttp -84.18 66.52 9.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.536 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.6 m -66.89 -56.46 10.2 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.24 0.543 . . . . 0.0 111.63 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.99 127.83 33.13 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.621 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -44.0 146.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.378 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.486 -179.441 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.52 ' C ' ' H ' ' A' ' 4' ' ' GLY . 2.4 Cg_endo -70.9 -16.36 32.77 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.424 2.083 . . . . 0.0 109.968 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.85 14.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.566 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.52 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . -121.24 126.73 6.67 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -61.63 -58.72 6.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.929 0.395 . . . . 0.0 110.579 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -54.35 -22.01 11.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.451 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -41.51 98.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.049 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -59.95 -49.45 77.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.36 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.444 HD22 ' CG2' ' A' ' 101' ' ' ILE . 91.7 mt -66.84 -40.91 88.1 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.571 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.92 -48.38 80.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.633 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -56.02 -49.85 72.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.689 1.233 . . . . 0.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -60.15 -60.04 4.45 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.261 -2.245 . . . . 0.0 111.443 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.8 m -52.48 -46.43 66.57 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.967 0.413 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -60.93 -46.74 89.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.359 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.25 -16.06 0.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.248 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.08 -1.88 12.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.098 -177.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -89.77 -13.6 36.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.187 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -67.24 -37.31 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.782 0.801 . . . . 0.0 110.183 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -62.26 -37.32 85.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.459 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.458 ' OH ' ' C ' ' A' ' 43' ' ' HIS . 96.1 m-85 -93.68 156.09 16.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.234 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 23' ' ' VAL . 96.8 mt-10 -119.34 172.75 7.39 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.652 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.621 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 31.9 t-80 62.82 3.98 1.33 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.496 ' H ' ' C ' ' A' ' 21' ' ' GLU . 69.4 t -123.55 126.33 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.095 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -141.88 108.1 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.796 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -86.52 88.27 2.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.491 0.662 . . . . 0.0 112.389 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -94.58 -24.48 17.21 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.927 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -148.49 -173.73 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.261 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.439 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 67.2 m-85 -107.33 -11.63 15.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.075 0.464 . . . . 0.0 110.581 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 p -104.85 -73.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -60.77 -44.12 97.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.504 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.4 m -69.43 1.43 3.95 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.008 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.439 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 30.3 m95 -114.43 -3.71 13.0 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.708 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 t -62.27 -5.67 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.275 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 36' ' ' MET . 2.4 m -93.18 -26.13 17.53 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 79.65 -14.94 15.75 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -177.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.472 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.8 mmm -61.83 -25.92 67.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.506 -0.847 . . . . 0.0 110.313 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.14 -50.14 50.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.914 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -57.65 -46.25 84.43 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.21 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.524 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 2.4 m -69.43 -45.48 69.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.13 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.48 98.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.168 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.73 -44.63 95.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.873 0.368 . . . . 0.0 110.587 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 42' ' ' ILE . 8.7 mm -66.87 -44.5 88.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 59.9 t-80 -54.03 -10.56 0.35 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.028 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 42' ' ' ILE . 7.1 tmtm? -81.74 -35.98 29.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.927 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.98 -23.03 17.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.555 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CD1' HD13 ' A' ' 74' ' ' LEU . 99.5 m-85 -125.29 99.5 33.73 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.449 -178.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.06 -39.69 1.11 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.842 1.695 . . . . 0.0 111.695 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -62.76 -13.99 39.43 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.8 -75.17 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 114.355 -1.293 . . . . 0.0 112.243 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 6.9 p90 -170.24 166.13 8.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.715 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -84.79 96.37 9.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -61.56 -21.73 64.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.868 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.51 -13.16 59.33 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.448 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -89.53 -19.71 24.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 120.947 0.403 . . . . 0.0 110.485 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.2 mt -79.41 150.8 31.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.12 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' ALA . 1.4 m-20 -124.69 145.44 49.57 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.109 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -50.61 -11.22 0.35 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.194 1.929 . . . . 0.0 109.904 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -80.77 -8.45 59.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.029 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -114.22 53.52 0.79 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.136 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -69.53 -49.79 51.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.662 HH21 ' CD2' ' A' ' 62' ' ' HIS . 69.1 ttp85 -54.98 -46.69 75.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.291 0.567 . . . . 0.0 110.238 -178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.662 ' CD2' HH21 ' A' ' 61' ' ' ARG . 16.7 m-70 -66.26 -34.6 78.37 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.278 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.524 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 26.2 t-20 -63.48 -41.61 98.58 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.375 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 50.1 m-85 -68.67 -54.98 13.02 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.867 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.464 ' OG1' HG21 ' A' ' 83' ' ' VAL . 10.6 m -56.05 -44.2 78.61 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.83 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD21 ' CG ' ' A' ' 50' ' ' PHE . 51.8 tp -59.82 -48.29 82.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.222 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.87 79.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.028 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 44.9 m-85 -80.55 -51.39 8.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -61.36 -30.72 70.7 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.0 m -76.07 -50.01 15.91 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.468 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -30.83 71.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 76' ' ' ASP . 84.4 tt0 -70.91 -52.18 21.6 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.604 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.97 -38.91 87.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.669 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.449 HD13 ' CD1' ' A' ' 46' ' ' PHE . 91.2 mt -79.63 -45.58 18.83 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' CG ' ' A' ' 76' ' ' ASP . . . -123.9 5.89 8.69 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 72' ' ' GLU . 3.7 p-10 44.3 41.87 4.76 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.114 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 19.4 p -58.21 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.52 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.76 170.87 12.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.199 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -133.37 41.14 3.11 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 109.989 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.44 -23.16 66.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.498 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -115.03 143.59 44.94 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 121.272 0.558 . . . . 0.0 112.252 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 97.3 mt-10 -112.91 143.16 44.65 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.298 178.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.464 HG21 ' OG1' ' A' ' 65' ' ' THR . 80.6 t -58.12 -51.96 64.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.366 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -53.99 -45.39 71.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.435 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.4 OUTLIER -65.5 -42.92 91.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.078 0.466 . . . . 0.0 110.384 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.566 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.2 mtp -62.24 -44.59 96.22 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.397 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.25 -41.95 81.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.7 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -71.25 -48.5 50.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.811 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.9 -51.71 60.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 0.0 110.25 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 61.72 24.52 14.61 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 90' ' ' ALA . 74.3 t -162.08 89.19 1.44 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.581 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.14 -175.14 1.82 Allowed 'Trans proline' 0 N--CA 1.489 1.217 0 C-N-CA 121.925 1.75 . . . . 0.0 111.255 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -119.15 129.63 55.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.237 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.0 t -47.66 -31.94 5.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.967 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -75.43 -34.78 61.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.374 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -66.75 -54.02 27.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.115 0.483 . . . . 0.0 110.968 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.52 -43.87 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -58.28 -50.79 72.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.224 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.1 m -58.44 -41.7 85.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.119 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -62.15 -51.37 68.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.442 0.639 . . . . 0.0 110.316 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 105' ' ' TYR . 29.4 mm -61.42 -41.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.084 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -50.41 -62.03 1.83 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.653 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.88 -46.23 89.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.751 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.41 -45.21 94.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.742 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 101' ' ' ILE . 79.8 t80 -53.64 -47.44 70.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.535 0.684 . . . . 0.0 109.367 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -61.83 -37.71 85.46 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.974 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.3 t -60.63 -41.52 95.02 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.688 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 26.8 mt -68.04 -37.81 81.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.99 0.424 . . . . 0.0 111.235 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.43 -48.4 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -65.49 -41.33 93.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -61.94 -28.18 69.35 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.278 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.44 16.18 59.17 Favored Glycine 0 N--CA 1.463 0.49 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.5 mt -72.96 -43.59 62.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.442 -0.879 . . . . 0.0 110.923 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.4 -32.29 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.277 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -75.43 49.3 0.47 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.881 0.372 . . . . 0.0 110.524 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.3 m -73.09 -15.23 61.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.516 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -118.19 130.07 55.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -135.65 121.1 19.27 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt . . . . . 0 C--O 1.222 -0.374 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.44 -179.654 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -56.03 -19.95 28.38 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.179 1.919 . . . . 0.0 109.732 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.4 mt -81.38 -17.1 50.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.77 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.52 15.59 75.37 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' MET . 69.6 m -53.05 -55.12 26.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.788 0.328 . . . . 0.0 110.622 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -45.62 -25.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.706 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -64.77 -38.73 91.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.863 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 17.7 tpt -59.68 -49.16 78.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.481 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.42 -44.52 94.37 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.052 0.453 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.57 -47.19 86.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.44 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.83 -53.64 55.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 122.597 1.189 . . . . 0.0 109.953 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -53.83 -61.29 2.4 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 112.661 -2.063 . . . . 0.0 111.462 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 m -53.13 -44.59 67.82 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.968 0.413 . . . . 0.0 110.896 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' MET . 58.6 ttp180 -60.65 -56.25 23.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.674 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.44 -15.08 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.415 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 14' ' ' ARG . 54.0 mtm -120.27 -4.18 9.97 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -95.38 -12.85 25.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -66.15 -47.15 75.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.646 0.736 . . . . 0.0 109.435 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -49.39 -28.57 5.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.683 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -93.65 153.81 18.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 23' ' ' VAL . 95.8 mt-10 -114.6 172.23 7.15 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.95 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.604 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 50.7 t-80 60.83 6.47 1.19 Allowed 'General case' 0 C--N 1.334 -0.072 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 21' ' ' GLU . 70.1 t -121.92 127.7 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.336 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' O ' ' OG ' ' A' ' 31' ' ' SER . 25.0 t0 -140.88 104.09 4.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.482 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.9 mt -88.36 79.28 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.397 0.618 . . . . 0.0 112.513 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -99.73 -8.83 23.77 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.796 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -157.01 174.11 16.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.457 -1.247 . . . . 0.0 108.508 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.446 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 73.7 m-85 -101.92 -10.13 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.99 0.424 . . . . 0.0 110.48 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -102.86 -73.11 0.67 Allowed 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.2 p -58.04 -42.76 86.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 43.4 m -72.42 1.97 7.02 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.189 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 38.1 m95 -116.19 -10.52 11.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.663 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -58.41 -18.46 28.38 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.474 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 36' ' ' MET . 5.4 m -88.01 -21.44 24.8 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.54 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.413 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.8 -10.7 23.87 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 108.951 -1.66 . . . . 0.0 108.951 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.455 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.9 mmm -60.08 -28.17 67.6 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.778 -0.711 . . . . 0.0 110.074 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.57 -49.12 51.22 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.683 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.13 -46.8 85.0 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.069 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 8.1 m -69.03 -45.5 70.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.402 . . . . 0.0 111.011 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.17 98.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.406 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.95 -44.38 96.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.875 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.406 ' C ' ' H ' ' A' ' 44' ' ' LYS . 5.9 mm -66.54 -44.43 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.753 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 26.6 t-80 -54.65 -10.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.298 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 42' ' ' ILE . 35.1 tptt -80.52 -36.16 33.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.608 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -96.84 -20.78 17.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.859 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.422 ' CD1' HD13 ' A' ' 74' ' ' LEU . 98.9 m-85 -126.41 99.82 30.0 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.47 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -74.59 -35.26 3.7 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.912 1.741 . . . . 0.0 111.862 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -70.44 -2.48 13.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.27 -75.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.189 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.4 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.2 p90 -170.73 164.11 8.03 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.637 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -85.99 96.51 9.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -60.75 -21.83 63.4 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.58 -12.87 59.45 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.472 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -95.0 -16.26 22.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.926 0.393 . . . . 0.0 110.613 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 80.7 mt -80.18 155.64 27.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.138 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.96 162.42 37.19 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.507 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -73.5 -16.59 24.23 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.062 1.842 . . . . 0.0 110.328 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.58 -42.61 74.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.439 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -84.69 52.34 2.37 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.059 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -65.42 -43.04 91.78 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HG2' HG21 ' A' ' 87' ' ' VAL . 82.2 mtp180 -53.14 -47.36 68.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.221 0.534 . . . . 0.0 110.29 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -67.13 -35.48 79.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.788 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.514 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 20.4 t-20 -62.13 -43.29 99.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.641 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 46.9 m-85 -67.43 -55.38 13.92 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.781 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.474 ' OG1' HG21 ' A' ' 83' ' ' VAL . 15.1 m -54.83 -42.74 72.28 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.59 -48.92 79.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.339 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.4 77.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.187 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 48.1 m-85 -79.86 -49.73 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.4 m -62.12 -30.26 70.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.9 m -77.42 -45.69 25.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.613 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -64.91 -35.26 80.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.939 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' ASP . 40.5 tt0 -71.1 -49.73 41.34 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.897 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.29 -40.8 97.48 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.916 -0.713 . . . . 0.0 110.925 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.422 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.5 mt -86.99 -33.09 19.72 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -125.85 0.01 7.33 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 72' ' ' GLU . 68.3 m-20 46.73 37.03 4.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.813 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 76' ' ' ASP . 30.1 p -49.43 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.621 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.43 171.89 9.41 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.38 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -126.25 67.85 1.21 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -103.73 -22.41 13.56 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.434 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.28 139.52 46.61 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.225 0.536 . . . . 0.0 112.175 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -113.83 128.25 56.33 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.231 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 87' ' ' VAL . 77.4 t -46.69 -53.41 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.6 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -54.25 -45.26 72.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.265 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.71 -43.23 99.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.308 0.575 . . . . 0.0 110.112 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.579 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 12.5 mtp -63.23 -43.03 99.2 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.371 0.605 . . . . 0.0 110.01 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 83' ' ' VAL . 55.4 t -61.38 -51.91 67.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.951 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.519 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 13.0 ptm180 -69.94 -45.65 67.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.891 0.377 . . . . 0.0 111.288 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.519 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 35.6 mt -53.13 -63.22 1.22 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.149 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 89' ' ' LEU . . . 68.16 17.96 9.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 91' ' ' VAL . 69.8 t -159.64 60.61 1.56 Allowed Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.671 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.456 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.9 Cg_endo -43.98 174.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.042 1.828 . . . . 0.0 111.483 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 92.1 m-20 -106.41 125.81 51.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.945 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.8 p -53.12 -33.86 54.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.36 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -68.62 -43.59 76.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.596 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 1.8 p -62.56 -44.9 95.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.344 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.591 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 97.3 t -61.38 -45.85 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 15.0 t80 -60.6 -50.78 72.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.134 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.2 m -58.9 -42.92 90.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.623 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -62.02 -50.24 72.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.421 0.629 . . . . 0.0 110.158 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.9 mm -61.63 -40.44 86.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.698 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -53.51 -58.68 6.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -58.72 -42.97 89.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.869 0.842 . . . . 0.0 109.957 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.0 tp -66.94 -39.79 87.4 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.927 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 101' ' ' ILE . 78.3 t80 -56.45 -51.37 68.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 107' ' ' SER . 16.6 ptm180 -63.84 -36.24 83.25 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.956 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 19.3 m -60.97 -37.7 83.36 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.7 mt -68.65 -37.97 80.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.651 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.76 -48.26 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 111' ' ' LYS . 11.8 pt20 -61.8 -44.99 95.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 60.0 mttp -60.19 -25.25 65.43 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.225 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.06 16.72 62.46 Favored Glycine 0 N--CA 1.465 0.573 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.57 -45.86 50.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.773 -0.714 . . . . 0.0 110.998 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.67 -38.07 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.019 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -104.8 111.36 24.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.95 0.405 . . . . 0.0 110.329 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.31 -44.66 6.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.28 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -62.07 -79.25 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.464 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -68.81 173.14 5.54 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.577 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.487 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -73.44 -72.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.098 1.865 . . . . 0.0 110.342 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.81 -45.04 65.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.676 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' ND2' ' A' ' 7' ' ' ASN . . . 97.4 163.77 31.86 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.5 m -47.2 -30.32 2.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.95 0.405 . . . . 0.0 110.409 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.49 -2.04 2.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.681 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 8' ' ' MET . 18.7 p30 -66.23 -38.53 88.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.173 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.509 ' N ' ' OD1' ' A' ' 7' ' ' ASN . 0.9 OUTLIER -59.0 -48.28 82.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.319 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.44 -44.35 91.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.701 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.38 -46.82 88.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.347 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -58.99 -53.67 55.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.641 1.21 . . . . 0.0 110.087 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.11 -61.49 2.28 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 112.62 -2.082 . . . . 0.0 110.789 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.2 t -52.45 -44.05 65.28 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.051 0.453 . . . . 0.0 110.72 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.74 -44.13 97.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.376 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.19 -22.52 4.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.952 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mtt -105.91 -9.68 17.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.551 ' OG1' HD12 ' A' ' 25' ' ' ILE . 25.2 m -79.49 -15.32 57.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.06 0.457 . . . . 0.0 111.46 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -64.8 -41.01 96.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.43 0.633 . . . . 0.0 109.733 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.01 -36.51 84.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.441 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.52 ' OH ' ' N ' ' A' ' 44' ' ' LYS . 70.3 m-85 -92.62 150.2 20.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.008 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 23' ' ' VAL . 12.7 pt-20 -118.99 176.8 5.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.356 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.6 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 53.9 t-80 63.52 5.4 2.11 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-O 121.795 0.807 . . . . 0.0 108.832 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.434 ' H ' ' C ' ' A' ' 21' ' ' GLU . 78.8 t -123.8 129.21 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.885 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -137.08 104.98 5.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.722 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.551 HD12 ' OG1' ' A' ' 17' ' ' THR . 93.5 mt -80.54 91.81 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 112.673 -178.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -99.95 -25.13 14.43 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.762 -1.108 . . . . 0.0 108.798 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.819 HD21 ' H ' ' A' ' 30' ' ' SER . 52.5 p-10 -156.56 -172.75 4.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.336 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 54.1 m-85 -103.2 -8.32 20.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.058 0.456 . . . . 0.0 110.592 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -102.75 -74.99 0.62 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.819 ' H ' HD21 ' A' ' 27' ' ' ASN . 7.1 t -60.9 -42.27 97.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.498 -178.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.9 m -70.73 -1.43 11.43 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.195 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.483 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.0 m95 -112.6 -5.92 13.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.739 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 t -61.21 -5.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.533 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 36' ' ' MET . 91.6 p -93.16 -24.06 18.36 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.62 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.96 -12.32 24.37 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.46 ' H ' ' C ' ' A' ' 34' ' ' SER . 33.1 mmm -62.8 -31.1 72.02 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.807 -0.697 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.09 -52.68 61.72 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.827 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -57.79 -45.35 86.18 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.13 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 11.1 m -65.81 -47.57 74.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.991 0.424 . . . . 0.0 111.282 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -63.06 -42.19 99.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.414 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.09 -44.19 96.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.021 0.438 . . . . 0.0 110.979 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.8 mm -66.2 -42.91 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.74 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -54.11 -48.18 71.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.831 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.52 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 6.1 tmtt? -45.27 -34.08 2.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.658 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.8 m-85 -94.15 -28.92 15.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.863 -178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.5 m-85 -121.9 99.93 43.75 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.354 -178.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.554 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_endo -75.25 -38.69 1.38 Allowed 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.971 1.781 . . . . 0.0 111.904 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -72.2 11.44 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.542 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.554 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -75.41 -71.65 0.35 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.788 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -169.97 163.13 9.42 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.598 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -85.65 96.67 9.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -58.15 -22.43 51.13 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.954 0.407 . . . . 0.0 110.921 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.47 -16.83 53.39 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -88.43 -15.84 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.3 mt -82.98 154.39 24.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.181 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -126.14 161.47 51.63 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.463 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -74.34 -9.88 21.98 Favored 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 122.019 1.813 . . . . 0.0 110.005 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.29 76.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.598 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -95.2 71.82 3.3 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.87 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.59 -46.51 59.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.092 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -50.78 -56.96 9.65 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.325 0.584 . . . . 0.0 110.965 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -57.92 -35.71 71.46 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.542 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.494 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 t-20 -62.37 -42.67 99.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.549 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 50.6 m-85 -69.83 -52.1 27.93 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.6 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -56.61 -44.32 81.02 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.77 -46.28 91.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.182 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -62.41 -38.76 90.92 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.267 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -81.01 -51.65 8.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.111 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.8 m -60.39 -27.86 67.77 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.693 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.454 HG22 HD12 ' A' ' 74' ' ' LEU . 97.3 m -78.78 -47.64 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.447 178.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.49 75.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.76 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 76' ' ' ASP . 82.1 tt0 -73.36 -50.18 23.31 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.783 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -60.22 -40.96 91.99 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.632 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.454 HD12 HG22 ' A' ' 70' ' ' THR . 93.9 mt -79.31 -43.27 23.95 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 76' ' ' ASP . . . -125.05 6.65 7.93 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 72' ' ' GLU . 4.1 p-10 41.92 46.79 3.59 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.452 0.644 . . . . 0.0 109.998 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.8 t -58.5 -163.3 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.474 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.74 167.87 17.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.326 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -125.14 63.05 1.16 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -96.61 -22.94 16.74 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.669 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.1 mt -114.93 137.31 52.14 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.2 0.524 . . . . 0.0 112.171 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.64 139.18 47.3 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.962 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 87' ' ' VAL . 72.9 t -58.18 -51.61 68.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.629 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -54.71 -44.77 73.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.009 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.02 -42.69 97.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.962 0.411 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.595 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.8 mtp -62.39 -42.52 99.49 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.332 0.587 . . . . 0.0 109.45 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' VAL . 69.5 t -64.8 -44.87 96.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.949 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -72.6 -47.64 46.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.863 0.363 . . . . 0.0 111.737 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 54.6 mt -56.6 -60.12 4.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.228 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 66.17 19.36 11.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 90' ' ' ALA . 73.9 t -161.91 88.19 1.5 Allowed Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 113.692 -1.594 . . . . 0.0 109.358 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -72.73 -174.36 1.47 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 121.879 1.719 . . . . 0.0 111.444 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.495 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 57.4 t0 -123.69 130.48 52.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.6 p -48.81 -31.48 7.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.081 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -71.12 -40.77 71.23 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.731 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 4.0 p -66.09 -47.76 73.15 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.73 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.629 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 84.1 t -64.37 -44.14 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 26.4 t80 -59.67 -51.0 71.68 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.173 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.5 m -57.85 -44.31 86.46 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.94 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -62.05 -49.85 74.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.293 0.568 . . . . 0.0 110.035 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.5 mm -60.86 -41.43 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.896 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -51.43 -61.54 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.61 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.64 -45.57 89.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.628 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 31.7 tp -60.5 -44.33 96.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.383 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 81.2 t80 -53.74 -48.74 69.38 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.733 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -59.94 -43.57 94.89 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.085 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.5 p -60.11 -37.45 80.03 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.986 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.14 -39.68 82.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.11 -49.72 82.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -62.12 -45.67 92.43 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -58.5 -27.85 64.85 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.274 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.81 17.29 58.38 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 29.4 mt -73.85 -44.3 55.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.784 -0.708 . . . . 0.0 111.044 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.0 t -63.41 -37.93 80.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.122 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -87.62 59.08 5.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.835 0.35 . . . . 0.0 110.233 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.1 m -73.07 -54.23 9.07 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.194 0.521 . . . . 0.0 111.57 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -144.81 145.09 31.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.133 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 119' ' ' LYS . 56.9 mtpt -73.18 151.49 41.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' LYS . 23.2 pttm . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.859 -1.067 . . . . 0.0 111.157 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.487 2.066 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -72.7 32.86 0.29 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.291 1.994 . . . . 0.0 110.226 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' H ' ' C ' ' A' ' 1' ' ' GLY . 88.0 mt -78.6 -0.63 30.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.352 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.17 39.1 95.95 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -67.7 -66.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.009 0.433 . . . . 0.0 110.705 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -100.79 0.71 39.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.518 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -66.28 -40.8 90.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.154 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 tpt -58.48 -51.0 71.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.545 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 ' CE2' ' A' ' 98' ' ' TYR . 88.7 mt -64.71 -43.37 93.68 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.465 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.93 -47.48 84.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.451 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.04 -50.88 71.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.671 1.224 . . . . 0.0 109.716 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.436 ' O ' ' CE ' ' A' ' 16' ' ' MET . 82.2 t90 -59.39 -60.94 3.05 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 112.478 -2.146 . . . . 0.0 111.266 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.2 m -51.71 -44.56 63.22 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.127 0.489 . . . . 0.0 110.79 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 16' ' ' MET . 77.0 ttt-85 -63.03 -49.67 73.68 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.28 -12.72 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.428 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' ARG . 1.9 mpp? -110.97 -17.38 13.31 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.606 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' ARG . 48.2 m -70.09 -15.78 63.03 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.299 0.375 . . . . 0.0 111.482 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -65.96 -36.16 82.58 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.582 0.706 . . . . 0.0 109.932 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -67.23 -38.75 85.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.643 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -95.53 155.37 16.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.84 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 23' ' ' VAL . 98.0 mt-10 -119.16 174.51 6.29 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.802 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.611 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 51.0 t-80 60.99 6.35 1.21 Allowed 'General case' 0 C--O 1.227 -0.108 0 CA-C-O 122.082 0.944 . . . . 0.0 108.577 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.48 ' H ' ' C ' ' A' ' 21' ' ' GLU . 74.8 t -122.66 127.39 74.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.862 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' OG ' ' A' ' 31' ' ' SER . 70.2 m-20 -136.57 105.75 6.01 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.194 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CD1' ' OG1' ' A' ' 17' ' ' THR . 45.1 mt -85.64 83.65 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 121.43 0.633 . . . . 0.0 111.956 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -99.1 -21.69 16.05 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.077 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 31' ' ' SER . 4.8 p30 -148.98 179.56 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.289 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.411 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 64.1 m-85 -104.37 -9.05 18.77 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.146 0.498 . . . . 0.0 110.405 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 30' ' ' SER . 93.0 p -102.55 -72.99 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.839 -178.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.452 ' N ' ' OG ' ' A' ' 29' ' ' SER . 67.4 m -59.54 -42.26 91.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.498 -178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 16.8 t -71.51 2.39 5.13 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.17 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.411 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 34.6 m95 -116.99 -7.67 11.33 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.656 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -56.54 -31.58 64.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.465 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.1 m -72.51 -22.85 60.98 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.0 -11.42 21.99 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.577 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 60.1 mtp -62.46 -27.19 68.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 114.424 -0.888 . . . . 0.0 110.071 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.8 -50.0 53.91 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.482 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.93 -46.3 88.3 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.105 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 3.8 m -65.57 -47.12 76.87 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.013 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.52 98.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.363 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.7 tp -63.39 -43.12 98.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.046 0.451 . . . . 0.0 110.89 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 mm -65.99 -39.99 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.573 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -57.26 -42.28 81.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -49.15 -36.68 19.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.135 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -93.73 -29.57 15.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.085 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CD1' HD13 ' A' ' 74' ' ' LEU . 99.1 m-85 -120.93 100.51 46.04 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.92 -40.92 0.77 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.876 1.718 . . . . 0.0 111.707 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -63.11 -11.12 17.75 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.16 -75.64 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.076 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -169.07 163.47 11.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.64 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -83.64 95.3 8.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -60.93 -19.46 60.69 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.071 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.54 -13.69 57.77 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.566 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -95.42 -15.21 23.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.645 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 51.6 mt -81.84 153.03 26.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.949 0.404 . . . . 0.0 111.003 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -123.41 165.58 22.21 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.326 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -74.37 -12.16 22.86 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.301 2.001 . . . . 0.0 110.042 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.39 80.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -86.44 60.18 6.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -69.84 -51.17 35.74 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -52.02 -49.29 63.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.307 0.575 . . . . 0.0 110.196 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -64.77 -33.42 75.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.041 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.509 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 20.9 t-20 -62.15 -41.27 98.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.671 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 26.6 m-85 -69.49 -53.58 18.44 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.742 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.465 ' OG1' HG21 ' A' ' 83' ' ' VAL . 18.5 m -53.88 -41.5 67.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.1 tp -59.39 -50.01 75.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.058 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.02 -36.06 72.16 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.962 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -82.56 -52.84 6.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.272 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 m -59.74 -31.41 69.61 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.035 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 m -76.97 -50.89 12.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.235 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.35 71.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.817 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 76' ' ' ASP . 65.0 mm-40 -71.2 -50.98 27.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.698 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.38 -38.79 88.29 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.68 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 46' ' ' PHE . 96.4 mt -79.8 -42.98 23.28 Favored 'General case' 0 CA--C 1.53 0.212 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.475 ' O ' ' CG ' ' A' ' 76' ' ' ASP . . . -127.36 6.29 6.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' A' ' 72' ' ' GLU . 3.1 p30 43.19 42.81 3.65 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.339 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.4 p -57.31 -162.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.402 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.32 169.56 13.61 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.235 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -129.13 43.24 3.18 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.08 -24.86 64.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.392 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mt -112.87 140.12 47.93 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.126 0.488 . . . . 0.0 112.207 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 80.8 mm-40 -114.56 126.81 55.35 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.378 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.465 HG21 ' OG1' ' A' ' 65' ' ' THR . 89.6 t -43.66 -51.81 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.283 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -52.73 -45.56 67.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.38 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' A' ' 82' ' ' GLU . 0.6 OUTLIER -68.51 -40.71 80.71 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.088 0.47 . . . . 0.0 110.311 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.578 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 8.6 mtp -61.7 -45.43 94.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.716 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.9 -42.71 85.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.933 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -70.85 -47.61 58.39 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -64.44 -51.44 63.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.273 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 62.57 25.31 15.07 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 90' ' ' ALA . 53.9 t -163.91 92.17 1.08 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.703 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -72.68 -175.02 1.66 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 C-N-CA 121.887 1.725 . . . . 0.0 111.393 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -120.91 131.14 54.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.24 0.543 . . . . 0.0 110.362 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.5 p -48.41 -32.28 7.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.037 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -77.68 -32.42 53.09 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.486 179.298 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.5 m -67.01 -52.69 39.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.063 0.459 . . . . 0.0 110.588 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.45 -43.58 98.49 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 17.0 t80 -57.65 -51.21 70.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.376 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 14.7 m -57.9 -42.56 84.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.214 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -61.76 -50.47 72.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.459 0.647 . . . . 0.0 110.138 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 105' ' ' TYR . 27.3 mm -61.36 -40.98 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.053 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.542 HE21 ' NH1' ' A' ' 106' ' ' ARG . 33.3 tt0 -50.09 -63.59 1.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.783 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.9 -46.54 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.7 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.42 -45.98 90.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.698 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 101' ' ' ILE . 85.1 t80 -51.84 -46.74 64.47 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.685 0.755 . . . . 0.0 109.55 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.542 ' NH1' HE21 ' A' ' 102' ' ' GLN . 94.4 mtt180 -61.81 -38.32 87.69 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.04 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.4 m -61.22 -39.06 88.85 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.123 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.3 mt -68.12 -36.13 79.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.092 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.35 -48.38 85.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -64.35 -47.48 79.15 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -56.96 -29.18 62.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.246 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.76 17.83 55.78 Favored Glycine 0 N--CA 1.464 0.554 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.5 mt -73.29 -44.96 58.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.361 -0.92 . . . . 0.0 111.034 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.24 -35.95 76.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.305 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -100.06 89.08 3.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.012 0.434 . . . . 0.0 110.315 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.41 -34.15 4.13 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.055 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -145.01 142.05 29.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.028 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -77.3 157.02 30.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.181 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.437 -179.541 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -68.82 -30.38 27.11 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.241 1.961 . . . . 0.0 110.306 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.6 -38.26 83.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.683 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.98 40.16 9.59 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -68.48 -46.05 70.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.918 0.389 . . . . 0.0 110.903 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -99.49 -0.46 40.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -65.37 -41.18 94.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.033 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.9 OUTLIER -60.15 -55.5 33.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.54 -179.555 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD12 ' CE2' ' A' ' 98' ' ' TYR . 36.1 mt -65.46 -41.58 93.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.795 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -62.02 -48.44 80.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.699 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -58.44 -51.24 70.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.593 1.187 . . . . 0.0 110.15 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -55.78 -62.32 1.77 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 112.457 -2.156 . . . . 0.0 111.611 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 14.6 p -50.75 -45.23 58.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.007 0.432 . . . . 0.0 111.396 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.606 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 51.2 ttt85 -61.15 -45.24 95.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.169 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.97 -21.84 1.97 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.389 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mmt -96.5 -3.81 42.6 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.601 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 14' ' ' ARG . 75.7 p -91.49 -13.24 32.55 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.319 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -65.23 -45.32 85.14 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.589 0.709 . . . . 0.0 109.736 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -65.63 -35.81 81.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.091 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 17' ' ' THR . 37.4 m-85 -90.52 150.38 21.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.795 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 23' ' ' VAL . 12.5 pt-20 -115.14 172.27 7.17 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.61 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.611 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 27.5 t-80 62.38 5.1 1.47 Allowed 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.475 ' H ' ' C ' ' A' ' 21' ' ' GLU . 82.4 t -125.15 128.77 73.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' O ' ' OG ' ' A' ' 31' ' ' SER . 39.8 t0 -147.52 106.29 3.82 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.9 mt -85.29 92.17 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -98.18 -20.76 17.1 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.656 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -152.39 -178.48 6.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.419 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.438 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 53.0 m-85 -102.5 -11.52 18.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.926 0.394 . . . . 0.0 110.427 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' A' ' 30' ' ' SER . 84.9 p -101.31 -75.43 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.431 ' N ' ' OG ' ' A' ' 29' ' ' SER . 46.5 m -56.77 -42.59 79.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.693 -177.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 41.1 t -72.93 1.46 8.73 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.382 -178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.438 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.1 m95 -114.15 -10.46 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.597 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -62.23 -7.06 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.433 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.489 ' C ' ' H ' ' A' ' 36' ' ' MET . 6.0 t -91.85 -22.5 20.06 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.66 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.559 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.71 -13.37 18.1 Favored Glycine 0 CA--C 1.519 0.292 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.489 ' H ' ' C ' ' A' ' 34' ' ' SER . 49.9 mmm -61.93 -32.15 72.53 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.569 -0.816 . . . . 0.0 110.145 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.12 55.46 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.7 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -58.71 -45.4 89.62 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.186 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.622 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 14.8 p -70.27 -46.07 65.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.003 0.43 . . . . 0.0 111.299 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -64.8 -42.27 95.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.51 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.51 -44.2 96.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.889 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.47 -35.25 71.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.229 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -59.81 -36.99 77.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.139 0.495 . . . . 0.0 110.85 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -54.9 -37.65 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.296 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -90.89 -35.51 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.818 -178.213 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.461 ' CD1' HD13 ' A' ' 74' ' ' LEU . 97.8 m-85 -116.62 103.14 52.92 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.392 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.0 Cg_exo -75.01 -40.67 0.82 Allowed 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.922 1.748 . . . . 0.0 111.768 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -67.41 -0.56 3.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -56.19 -76.7 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.084 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -168.1 162.28 13.0 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.609 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -81.55 96.87 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 55' ' ' LEU . 66.1 t80 -62.2 -19.11 62.78 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.54 -22.49 34.94 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.624 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -81.46 -20.1 40.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.979 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 52' ' ' TYR . 72.5 mt -72.12 -171.25 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.477 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -159.32 164.47 20.63 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.233 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -74.95 -20.26 17.15 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.215 1.944 . . . . 0.0 110.246 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.16 -42.99 71.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.401 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.78 54.82 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.243 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 -69.84 -42.05 74.1 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.561 HH11 HG11 ' A' ' 87' ' ' VAL . 90.9 mtt-85 -50.26 -54.73 19.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.391 0.615 . . . . 0.0 110.409 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -62.56 -31.82 72.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.807 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 46.6 t30 -61.94 -42.61 99.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 50.4 m-85 -67.98 -55.6 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.399 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.499 ' OG1' HG21 ' A' ' 83' ' ' VAL . 18.3 m -53.26 -42.79 66.86 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.44 ' O ' ' OG1' ' A' ' 70' ' ' THR . 55.8 tp -61.38 -46.95 88.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.013 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.07 87.08 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.034 -0.667 . . . . 0.0 110.086 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -80.98 -49.69 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.2 t -61.65 -28.84 69.67 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 32.4 m -77.84 -47.14 19.54 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.313 178.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.58 76.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 76' ' ' ASP . 13.0 tm-20 -72.04 -49.97 32.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.792 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -60.3 -40.3 90.01 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.859 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.6 mt -78.51 -45.17 22.62 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.484 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.93 8.69 7.45 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 72' ' ' GLU . 69.3 m-20 46.44 36.78 3.7 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.94 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 94.8 m -49.97 -163.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.547 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.73 168.59 14.21 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.384 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.86 41.32 3.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.928 0.394 . . . . 0.0 109.953 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.06 -20.97 63.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.548 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 mt -116.26 138.71 51.08 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 121.166 0.507 . . . . 0.0 112.28 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 49.7 mp0 -108.32 144.2 36.17 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.273 178.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG21 ' OG1' ' A' ' 65' ' ' THR . 66.7 t -58.32 -51.65 68.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.441 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 1.2 p30 -55.33 -46.78 76.34 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.132 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 35.0 t0 -63.2 -43.92 96.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.054 0.455 . . . . 0.0 110.004 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.452 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.8 mtp -62.55 -44.52 96.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.347 0.594 . . . . 0.0 109.87 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.561 HG11 HH11 ' A' ' 61' ' ' ARG . 77.3 t -70.64 -41.28 77.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.883 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' NH2' ' OD1' ' A' ' 85' ' ' ASP . 65.3 ttp85 -70.72 -45.84 64.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.807 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 75.1 mt -64.38 -51.68 62.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.081 0.467 . . . . 0.0 110.315 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 63.8 21.06 12.51 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.4 -1.334 . . . . 0.0 107.4 -177.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 90' ' ' ALA . 68.6 t -162.26 89.0 1.41 Allowed Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.462 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -72.46 -173.0 1.02 Allowed 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.983 1.789 . . . . 0.0 111.397 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.76 130.77 53.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.251 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.9 p -48.73 -31.62 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.092 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 99' ' ' THR . 20.6 ptmt -76.22 -34.07 59.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.486 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 59.4 m -69.12 -40.97 77.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.455 0.645 . . . . 0.0 110.581 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.18 -43.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.244 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.478 ' CE2' HD12 ' A' ' 9' ' ' LEU . 20.6 t80 -61.92 -53.05 61.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.845 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 100' ' ' TYR . 14.2 t -58.8 -42.5 89.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.331 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.506 ' N ' HG23 ' A' ' 99' ' ' THR . 47.9 t80 -61.4 -49.92 74.95 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.376 0.608 . . . . 0.0 110.053 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.13 -36.91 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.926 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -54.68 -56.75 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.701 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -60.12 -45.8 91.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.332 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.43 -43.94 96.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.707 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -54.01 -47.26 71.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.431 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.39 -40.47 90.99 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.871 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 t -61.01 -39.2 88.81 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.72 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 114' ' ' VAL . 90.1 mt -67.31 -37.61 83.61 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.828 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.43 -49.21 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -65.24 -49.16 70.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -51.99 -30.57 25.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.273 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.96 17.13 58.45 Favored Glycine 0 N--CA 1.463 0.487 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.2 mt -74.36 -47.04 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.515 -0.843 . . . . 0.0 111.061 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' A' ' 108' ' ' LEU . 2.3 t -69.01 -40.06 80.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.475 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -84.74 70.41 10.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.069 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.8 t -115.31 -0.13 13.29 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -141.35 145.82 35.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -150.15 150.97 32.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.342 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.483 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.559 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 3.1 Cg_exo -71.89 114.36 3.94 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.304 2.002 . . . . 0.0 110.337 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.6 mt -83.18 2.42 35.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.367 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.44 61.31 0.45 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.458 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 51.7 p -82.39 -60.18 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.29 0.566 . . . . 0.0 110.545 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.458 ' N ' ' OG ' ' A' ' 5' ' ' SER . 68.6 mttm -48.41 -45.03 35.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.42 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -63.44 -41.75 98.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.963 0.411 . . . . 0.0 110.169 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.7 tpt -59.9 -46.67 88.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.311 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.473 HD12 ' CE2' ' A' ' 98' ' ' TYR . 87.4 mt -64.7 -44.34 90.58 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.536 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.45 -46.82 88.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.406 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.32 -53.26 60.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.626 1.203 . . . . 0.0 110.118 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -53.98 -60.13 3.73 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 112.489 -2.142 . . . . 0.0 111.551 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 13.6 p -53.89 -43.09 69.36 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.128 0.49 . . . . 0.0 111.084 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.598 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 33.9 ttm180 -58.48 -47.07 85.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.352 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.72 -26.28 3.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.232 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.467 ' N ' ' SD ' ' A' ' 16' ' ' MET . 3.5 mmt -97.63 -6.65 32.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.418 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.439 ' O ' HG22 ' A' ' 17' ' ' THR . 64.5 m -87.19 -14.42 41.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.366 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -65.18 -42.87 93.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.662 0.744 . . . . 0.0 109.617 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 29.6 t-20 -62.98 -35.61 80.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.911 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -91.53 151.17 20.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.125 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' A' ' 23' ' ' VAL . 15.1 pt-20 -119.29 174.28 6.44 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.517 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.632 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 39.4 t-80 62.49 3.02 0.99 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 21' ' ' GLU . 89.8 t -123.94 127.16 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.308 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 29.5 p-10 -141.18 106.94 5.11 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.904 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.9 mt -85.34 89.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.492 0.663 . . . . 0.0 112.395 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -103.39 -2.63 26.68 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.946 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -167.03 178.38 5.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.264 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.421 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 42.6 m-85 -104.18 -12.11 16.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.929 0.395 . . . . 0.0 110.284 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 m -103.03 -72.99 0.68 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.1 t -60.04 -42.48 94.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.464 -177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.9 m -70.91 0.92 6.28 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.289 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.421 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 32.3 m95 -113.96 -6.38 13.17 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.647 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.6 m -54.89 -40.73 70.09 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.437 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.3 m -64.26 -22.99 67.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 78.51 -9.28 36.12 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.451 ' H ' ' C ' ' A' ' 34' ' ' SER . 53.9 mmm -62.19 -29.83 70.65 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.545 -0.828 . . . . 0.0 110.28 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.79 -51.34 56.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.839 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.08 -45.95 86.28 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.366 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 3.6 m -68.87 -46.36 68.64 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.36 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.34 89.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.383 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.9 -43.92 91.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.927 0.394 . . . . 0.0 110.851 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.451 ' C ' ' H ' ' A' ' 44' ' ' LYS . 2.8 mm -66.98 -45.08 87.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.918 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 31.7 t-80 -57.28 -6.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 -178.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.98 -36.3 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.772 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -84.67 -40.72 17.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.855 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.553 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 34.4 m-85 -118.57 78.34 14.96 Favored Pre-proline 0 C--O 1.22 -0.448 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.212 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.1 Cg_endo -46.57 -34.05 14.28 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 121.819 1.679 . . . . 0.0 111.678 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -68.29 -1.1 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -54.75 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.618 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.2 p90 -167.22 160.74 13.95 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.619 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -78.51 90.31 4.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.17 -22.04 65.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.15 -12.79 59.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.512 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -94.05 -12.84 27.72 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.723 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.25 152.19 25.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.954 0.407 . . . . 0.0 110.897 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' C ' ' H ' ' A' ' 58' ' ' ALA . 22.3 m-20 -124.79 144.87 47.96 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.305 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.12 -12.17 1.32 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.043 1.828 . . . . 0.0 109.921 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.83 -45.75 63.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.649 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -85.96 60.08 6.02 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.316 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 19.4 ptp180 -73.74 -45.75 50.07 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 82.0 mtp180 -52.35 -48.6 65.42 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.409 0.623 . . . . 0.0 110.089 -178.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -66.94 -34.54 77.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.524 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.52 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 20.5 t-20 -61.7 -43.13 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.152 0.501 . . . . 0.0 110.539 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.52 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 52.5 m-85 -65.94 -57.7 7.24 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.569 179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.455 ' OG1' HG21 ' A' ' 83' ' ' VAL . 12.6 m -51.58 -41.32 61.08 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.69 -50.06 75.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.218 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.87 80.49 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.895 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -78.16 -46.05 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.73 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.4 m -64.98 -27.51 68.88 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.665 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.6 m -77.43 -47.58 19.38 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.328 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.19 79.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' ASP . 83.2 tt0 -74.34 -49.54 22.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.091 0.472 . . . . 0.0 110.769 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -58.46 -43.23 88.77 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.459 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD13 ' CG ' ' A' ' 46' ' ' PHE . 93.2 mt -78.76 -51.78 9.3 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.061 0.764 . . . . 0.0 113.061 -178.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 8.47 15.83 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 72' ' ' GLU . 74.9 m-20 45.21 43.59 8.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.927 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 76' ' ' ASP . 14.6 p -49.05 -166.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.487 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.76 172.89 9.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.255 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -127.52 68.6 1.3 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -101.58 -26.14 13.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.653 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.9 mt -116.26 142.71 46.48 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.383 0.611 . . . . 0.0 111.923 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -111.52 143.02 43.05 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.694 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.455 HG21 ' OG1' ' A' ' 65' ' ' THR . 61.5 t -58.05 -51.18 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.138 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -53.97 -44.95 71.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.008 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -59.53 -44.4 93.2 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 2.6 mtm -62.35 -47.16 85.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.439 0.637 . . . . 0.0 110.289 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.0 t -63.03 -43.78 99.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.645 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -72.46 -48.86 37.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.781 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.9 -47.99 67.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.371 -178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 57.05 29.0 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 90' ' ' ALA . 61.3 t -164.24 88.91 1.11 Allowed Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 113.789 -1.55 . . . . 0.0 109.63 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -71.22 -171.83 0.66 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 121.881 1.72 . . . . 0.0 111.42 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -124.13 131.5 53.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.289 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 76.4 p -49.24 -32.3 10.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.056 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -74.89 -35.53 62.26 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.537 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -66.58 -52.85 40.93 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.05 -43.33 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.021 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 16.4 t80 -59.81 -51.0 71.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.05 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 88.6 m -58.49 -44.67 89.5 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.77 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.85 -49.9 75.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.482 0.658 . . . . 0.0 110.19 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.5 mm -60.75 -40.3 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.088 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -50.59 -62.05 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -58.46 -45.44 88.6 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.755 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.6 -45.3 94.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.97 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -52.34 -47.57 65.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.49 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -60.65 -39.73 89.4 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.996 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 m -59.24 -39.38 82.59 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.952 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.8 mt -69.07 -37.15 78.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.225 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.2 -48.64 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -65.18 -44.07 89.61 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -58.88 -26.8 64.61 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.327 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.93 18.78 60.61 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.1 mt -74.64 -50.62 17.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.486 -0.857 . . . . 0.0 110.856 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.5 t -71.33 -37.61 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.594 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -92.29 91.88 7.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.507 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 116' ' ' THR . 52.7 m -114.34 -11.81 12.49 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.343 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -85.75 120.59 27.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.442 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -41.98 150.02 0.13 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.983 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.597 -179.296 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.527 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 2.5 Cg_endo -70.17 -29.51 21.83 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.268 1.979 . . . . 0.0 110.284 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.87 -37.58 86.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.706 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.64 160.62 35.9 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -85.46 -67.04 0.83 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.142 0.496 . . . . 0.0 110.717 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -47.74 -35.77 10.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.704 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.9 -42.24 98.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.917 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 tpt -60.42 -48.45 81.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.332 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.498 HD22 ' CG2' ' A' ' 101' ' ' ILE . 89.9 mt -65.14 -43.34 92.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.46 -47.26 86.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.454 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -57.54 -49.41 76.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.629 1.204 . . . . 0.0 110.004 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -61.17 -62.48 1.81 Allowed 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 112.533 -2.121 . . . . 0.0 111.226 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 m -51.61 -48.93 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.016 0.436 . . . . 0.0 110.764 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -60.28 -47.04 87.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.311 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -54.66 -24.15 20.43 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.365 -178.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -106.75 -2.13 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.742 -179.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -10.13 34.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.343 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -67.35 -37.77 83.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.669 0.747 . . . . 0.0 109.283 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -56.79 -33.61 66.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.523 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 66.9 m-85 -106.98 102.11 11.49 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.855 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 23' ' ' VAL . 95.8 mt-10 -66.56 -172.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.626 0.25 . . . . 0.0 110.757 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.635 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 32.2 t-80 60.15 1.48 0.35 Allowed 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.911 0.862 . . . . 0.0 108.838 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.557 ' H ' ' C ' ' A' ' 21' ' ' GLU . 77.9 t -124.01 128.45 74.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.878 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 41.9 p-10 -140.67 106.44 5.14 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.7 mt -86.27 83.74 2.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 121.392 0.615 . . . . 0.0 112.48 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.509 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 88.8 mt-30 -95.93 -20.69 18.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.958 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 26' ' ' GLN . 17.7 m120 -147.67 179.0 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.179 178.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 72.5 m-85 -104.69 -9.88 17.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.983 0.42 . . . . 0.0 110.437 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -105.21 -72.74 0.7 Allowed 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.8 t -60.74 -44.21 96.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.447 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m -69.47 0.05 5.79 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.073 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.47 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 28.2 m95 -112.16 -3.83 14.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.637 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -64.92 -0.5 1.56 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.438 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 36' ' ' MET . 3.1 m -95.33 -25.2 16.4 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.35 -14.89 14.05 Favored Glycine 0 CA--C 1.519 0.29 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -178.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.602 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 33.6 mtt -64.23 -33.5 75.94 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.64 -0.78 . . . . 0.0 110.4 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -53.57 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.547 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -58.57 -46.6 86.58 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.136 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 1.6 m -67.4 -46.15 74.08 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.925 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.6 97.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.963 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 53.2 tp -63.42 -43.66 96.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.862 0.363 . . . . 0.0 110.492 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 44' ' ' LYS . 3.0 mm -66.27 -44.31 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.534 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.655 ' CD2' ' H ' ' A' ' 52' ' ' TYR . 63.0 t-80 -52.81 -10.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.168 -178.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 42' ' ' ILE . 16.6 tptp -84.09 -35.27 23.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.645 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.99 -31.49 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.022 -178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.469 ' CG ' HD13 ' A' ' 74' ' ' LEU . 43.6 m-85 -131.28 95.93 23.14 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.525 -177.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -76.32 -42.06 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.989 1.793 . . . . 0.0 111.6 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.48 -17.55 14.07 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.97 -60.1 3.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.928 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 30.4 p90 -172.6 165.61 5.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.481 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -94.13 109.46 21.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.655 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 67.7 t80 -63.04 -17.38 62.17 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.88 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.36 -24.3 37.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.715 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -75.6 -18.8 59.61 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.9 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -68.1 -179.9 1.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.021 0.439 . . . . 0.0 111.319 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 58' ' ' ALA . 12.6 t70 -159.16 137.0 7.32 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.321 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.492 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 1.8 Cg_endo -52.43 -11.17 1.06 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.909 1.739 . . . . 0.0 109.909 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -83.51 -10.11 58.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.132 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.44 57.08 0.77 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.939 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.492 ' NH1' ' O ' ' A' ' 57' ' ' PRO . 88.4 mtm-85 -70.2 -51.01 34.26 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.419 ' HG2' HG21 ' A' ' 87' ' ' VAL . 82.1 mtp180 -51.9 -45.83 64.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.36 0.6 . . . . 0.0 110.484 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -67.01 -35.19 79.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.768 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.509 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 22.3 t-20 -62.36 -43.53 98.61 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.798 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.554 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 50.6 m-85 -67.91 -55.01 14.42 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.75 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.5 m -53.47 -43.57 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.122 0.487 . . . . 0.0 109.77 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.9 -46.48 90.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.087 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.86 88.18 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.259 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -79.52 -47.57 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.746 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.7 m -61.28 -27.41 68.45 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.771 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.0 m -80.38 -46.2 16.44 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.047 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.47 83.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 76' ' ' ASP . 49.0 mt-10 -76.8 -47.12 22.48 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.195 0.522 . . . . 0.0 111.02 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -57.06 -46.07 82.74 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.706 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 46' ' ' PHE . 98.6 mt -79.23 -45.78 19.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -178.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.29 7.99 10.8 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 72' ' ' GLU . 53.6 t0 48.35 34.43 4.65 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.627 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.481 ' O ' ' O ' ' A' ' 76' ' ' ASP . 64.3 m -47.51 -167.04 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.681 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.57 171.2 11.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.529 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -129.95 42.64 3.25 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.972 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.03 -26.32 67.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.734 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -114.85 141.3 48.1 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.209 0.528 . . . . 0.0 112.38 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -111.42 132.57 54.35 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.187 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.524 ' O ' HG23 ' A' ' 87' ' ' VAL . 78.0 t -47.49 -54.05 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.815 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.586 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 42.6 p-10 -54.18 -45.14 72.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.479 -178.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.586 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 98.8 m-20 -59.8 -44.22 94.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.55 0.691 . . . . 0.0 109.852 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.554 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 11.5 mtp -63.69 -44.79 92.63 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.554 0.692 . . . . 0.0 110.42 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 83' ' ' VAL . 74.1 t -62.1 -49.52 83.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.064 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.532 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 11.4 ptm180 -70.38 -45.34 66.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.908 0.385 . . . . 0.0 111.923 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.532 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 67.9 mt -62.2 -53.71 51.31 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.045 -178.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 65.02 22.38 12.4 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 90' ' ' ALA . 56.3 t -161.47 91.78 1.46 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 113.79 -1.55 . . . . 0.0 109.43 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.58 -179.82 4.87 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.82 1.68 . . . . 0.0 111.264 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 95.8 m-20 -114.78 127.72 55.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.879 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 t -50.09 -33.27 18.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.461 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 95' ' ' LYS . 17.0 pttp -70.94 -40.82 71.82 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.791 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.635 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 2.5 p -65.28 -47.24 77.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.635 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 93.4 t -63.23 -44.79 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.1 t80 -60.27 -50.68 72.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.001 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 m -57.59 -45.16 85.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.006 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -61.25 -49.32 77.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.39 0.614 . . . . 0.0 110.119 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.498 ' CG2' HD22 ' A' ' 9' ' ' LEU . 7.2 mm -60.4 -40.94 85.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.899 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.75 -61.32 2.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.823 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -58.95 -46.65 87.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.685 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.5 tp -58.73 -47.24 85.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.678 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -52.35 -46.82 66.29 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.62 0.724 . . . . 0.0 109.63 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.65 -40.3 91.5 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.983 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.3 m -59.68 -40.39 87.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.041 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.0 mt -69.52 -35.44 75.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.39 -49.08 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.959 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -65.93 -43.39 88.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.345 -0.542 . . . . 0.0 109.615 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -58.11 -27.49 63.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.332 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.53 17.81 61.43 Favored Glycine 0 N--CA 1.463 0.49 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.8 mt -76.08 -40.48 53.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.452 -0.874 . . . . 0.0 110.904 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.84 -36.9 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.98 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -94.47 62.16 2.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.871 0.367 . . . . 0.0 110.238 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.8 m -74.07 -55.86 5.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.414 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -140.97 132.49 26.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.117 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -96.25 135.29 38.26 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.938 -1.03 . . . . 0.0 110.693 -179.265 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -71.96 98.17 0.88 Allowed 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.218 1.945 . . . . 0.0 110.366 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.2 mt -106.72 12.0 29.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.478 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.89 107.69 0.41 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.0 p -72.52 -68.06 0.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.95 0.405 . . . . 0.0 110.328 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -59.98 -15.9 26.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.634 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -61.97 -39.4 92.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.818 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ttt -60.14 -43.56 95.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.09 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD22 ' CG2' ' A' ' 101' ' ' ILE . 42.2 mt -61.85 -42.92 99.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.02 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.451 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 56.9 tp -60.55 -45.87 92.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.019 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -59.24 -55.14 38.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.493 1.14 . . . . 0.0 109.779 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -51.19 -61.03 2.49 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 112.523 -2.126 . . . . 0.0 111.329 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 13.9 p -52.88 -44.3 66.76 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.236 0.541 . . . . 0.0 111.019 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.614 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 73.8 mtp85 -62.98 -41.89 99.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.483 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.3 -24.1 67.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.496 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.437 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.8 mpp? -111.42 -1.94 15.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.712 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 17' ' ' THR . 96.3 m -106.55 -8.32 17.07 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.14 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -63.25 -55.05 28.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.557 0.694 . . . . 0.0 109.457 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -46.38 -25.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.416 -1.265 . . . . 0.0 109.548 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.487 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 26.0 m-85 -93.87 97.27 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.601 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.629 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.01 -179.71 1.59 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 -179.528 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.607 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 28.6 t-80 61.45 -2.46 0.24 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.807 0.813 . . . . 0.0 108.851 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.629 ' H ' ' C ' ' A' ' 21' ' ' GLU . 99.9 t -126.66 130.58 71.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.932 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -144.43 109.03 4.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.655 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.4 mt -85.4 91.26 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.555 0.693 . . . . 0.0 112.575 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -102.24 -0.24 33.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.85 178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.658 HD21 ' H ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -171.5 -178.43 2.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.45 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.437 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 79.9 m-85 -105.53 -10.78 16.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.16 0.505 . . . . 0.0 110.566 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.485 ' HG ' ' H ' ' A' ' 30' ' ' SER . 29.3 p -99.45 -76.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.539 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 22.0 m -58.73 -39.62 81.41 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.842 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.658 ' H ' HD21 ' A' ' 27' ' ' ASN . 36.6 m -73.36 1.37 9.76 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.353 -178.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.437 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 36.5 m95 -114.62 -8.01 12.73 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.786 -179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 t -54.71 -40.97 69.76 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.066 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.1 m -63.2 -23.54 67.48 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.589 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 77.12 -9.4 26.09 Favored Glycine 0 CA--C 1.516 0.142 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 -178.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.523 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 64.3 mtp -64.62 -27.33 68.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.634 -0.783 . . . . 0.0 110.118 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.38 59.14 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.427 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -44.41 83.97 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.104 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' SG ' ' CG ' ' A' ' 63' ' ' ASN . 11.0 m -66.18 -46.3 77.85 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.078 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB1' ' CD2' ' A' ' 20' ' ' TYR . . . -62.91 -42.94 99.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.535 -178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.52 -43.06 95.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 0.0 111.005 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mm -65.68 -41.74 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.581 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 37.8 t-80 -54.24 -48.02 71.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.365 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -44.2 -33.33 1.51 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.185 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -95.69 -27.22 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.082 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -126.12 97.85 34.13 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.463 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.564 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.7 Cg_endo -75.68 -39.17 1.07 Allowed 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 121.926 1.751 . . . . 0.0 111.68 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -69.54 6.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.564 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -70.56 -73.08 0.18 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.847 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' CG ' HD21 ' A' ' 66' ' ' LEU . 15.1 p90 -166.63 160.31 14.92 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.902 -1.045 . . . . 0.0 109.67 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -83.26 97.94 9.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.15 -22.66 63.15 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.903 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.2 -16.87 51.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.44 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -86.14 -19.94 29.38 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.617 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.0 mt -83.1 153.75 24.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 0.0 111.136 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 58' ' ' ALA . 3.4 m-20 -127.03 145.03 52.5 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.16 -179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -52.21 -11.53 1.11 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.099 1.866 . . . . 0.0 109.829 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -70.23 -44.5 68.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.612 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -89.16 61.92 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.169 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' ARG . 32.5 ptt180 -73.56 -42.73 61.27 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 79.8 mtp180 -53.21 -47.5 68.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.387 0.613 . . . . 0.0 110.268 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -68.69 -33.11 73.4 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.716 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.589 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 9.0 t30 -63.08 -41.59 99.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.513 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 36.6 m-85 -68.01 -54.76 16.02 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.908 -0.717 . . . . 0.0 109.419 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.438 ' OG1' HG21 ' A' ' 83' ' ' VAL . 12.0 m -55.92 -43.25 77.17 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.606 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 50' ' ' PHE . 45.8 tp -59.38 -48.95 79.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.173 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.2 76.83 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.007 -179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.438 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 46.4 m-85 -81.66 -52.73 6.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -60.02 -30.22 69.02 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.91 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.3 m -78.1 -46.86 19.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.285 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.41 73.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -72.22 -49.53 34.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.492 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -59.54 -40.18 86.39 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.408 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.3 mt -78.61 -46.04 20.21 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -125.28 7.49 7.8 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 72' ' ' GLU . 93.1 m-20 47.02 35.77 3.62 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.013 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 76' ' ' ASP . 95.6 m -48.66 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.577 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.439 ' O ' ' OE2' ' A' ' 72' ' ' GLU . . . -84.54 170.27 13.61 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.411 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -129.8 42.82 3.23 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.83 -26.5 66.95 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.545 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.09 142.3 44.71 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 121.24 0.543 . . . . 0.0 112.143 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.496 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 96.8 mt-10 -114.34 128.89 56.57 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.352 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.438 HG21 ' OG1' ' A' ' 65' ' ' THR . 92.3 t -44.6 -53.01 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.431 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -53.71 -47.11 70.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.524 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -63.81 -42.68 97.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.016 0.436 . . . . 0.0 110.106 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.523 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 8.5 mtp -62.33 -46.02 90.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.571 0.701 . . . . 0.0 109.744 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.6 t -68.3 -42.08 84.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.043 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -71.34 -47.97 53.25 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.8 -50.53 64.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.29 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 63.07 24.84 14.68 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -177.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 90' ' ' ALA . 62.9 t -163.5 89.19 1.2 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 113.807 -1.542 . . . . 0.0 109.584 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.04 -174.45 1.56 Allowed 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 121.925 1.75 . . . . 0.0 111.372 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 46.1 t0 -122.21 129.38 52.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.31 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 t -49.45 -30.58 8.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.062 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -71.94 -40.51 68.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.559 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.653 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 6.1 p -66.1 -46.99 75.65 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.201 0.524 . . . . 0.0 110.602 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.653 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 71.3 t -65.92 -44.59 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 15.2 t80 -58.1 -51.03 71.38 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.6 m -58.07 -42.67 86.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.007 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -60.65 -50.71 72.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.39 0.614 . . . . 0.0 110.269 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.411 ' CG2' HD22 ' A' ' 9' ' ' LEU . 30.0 mm -61.86 -41.71 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.119 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -49.93 -63.81 1.0 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.941 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.44 -44.97 89.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.897 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.56 -46.85 87.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.694 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -51.77 -46.26 64.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.613 0.721 . . . . 0.0 109.53 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.698 -1.137 . . . . 0.0 111.141 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.5 p -59.94 -41.37 91.67 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.965 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.6 -40.53 95.14 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.687 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.416 HG13 ' NZ ' ' A' ' 115' ' ' LYS . 58.4 t -61.75 -45.56 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.577 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.01 -50.91 70.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -59.32 -25.04 63.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.309 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.06 20.4 57.58 Favored Glycine 0 N--CA 1.463 0.441 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 113' ' ' LEU . 18.0 mt -74.01 -42.3 60.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.303 -0.949 . . . . 0.0 111.108 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.7 -36.35 77.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.478 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.416 ' NZ ' HG13 ' A' ' 109' ' ' VAL . 22.8 mtmm -89.93 58.32 4.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.477 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -94.13 -37.38 11.62 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.246 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -145.86 138.56 25.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.144 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -143.1 147.93 35.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.298 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.258 -179.771 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -69.5 -26.7 28.52 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.217 1.944 . . . . 0.0 110.212 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.19 -25.93 67.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.616 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.66 61.71 0.64 Allowed Glycine 0 N--CA 1.467 0.756 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 53.6 p -65.69 -60.71 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.118 0.485 . . . . 0.0 110.567 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' N ' ' OG ' ' A' ' 5' ' ' SER . 23.2 ttmt -45.66 -37.35 5.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.668 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.64 -41.61 99.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.038 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -57.98 -46.53 85.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.45 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD12 ' CE2' ' A' ' 98' ' ' TYR . 95.5 mt -63.44 -44.27 95.03 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.389 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.17 -48.5 78.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.686 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -57.02 -51.9 67.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.544 1.164 . . . . 0.0 109.928 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -59.12 -60.39 3.95 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.446 -2.161 . . . . 0.0 111.307 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 8.2 p -52.58 -42.94 64.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.12 0.486 . . . . 0.0 111.0 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.616 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 70.6 ttp85 -59.94 -47.26 86.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.997 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.92 -39.73 55.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.407 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.444 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 18.1 mmt -78.77 -27.77 44.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.757 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.64 -16.31 59.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.619 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 20' ' ' TYR . 79.9 ttt180 -59.81 -62.98 1.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.708 0.766 . . . . 0.0 109.386 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.561 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 48.9 p-10 -39.11 -24.36 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.138 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.561 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 26.1 m-85 -98.12 158.93 15.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.611 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' A' ' 23' ' ' VAL . 80.5 mm-40 -121.18 176.99 5.33 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.791 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER 58.92 3.76 0.35 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.548 ' H ' ' C ' ' A' ' 21' ' ' GLU . 49.6 t -122.28 130.72 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.751 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -145.9 106.01 4.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.876 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.2 mt -82.05 94.86 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 112.321 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -105.99 -22.73 12.82 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.169 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' H ' ' A' ' 29' ' ' SER . 20.0 m120 -155.19 136.8 14.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.359 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.489 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 46.3 m-85 -62.06 -6.11 2.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.151 0.5 . . . . 0.0 110.532 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 27' ' ' ASN . 41.5 t -99.77 -76.29 0.55 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -58.04 -42.11 84.69 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.507 -177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.7 m -73.02 2.59 6.69 Favored 'General case' 0 C--N 1.315 -0.921 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.306 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.489 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.1 m95 -115.91 -9.72 11.76 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.801 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 p -58.34 -18.27 26.16 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.329 -178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.4 m -85.74 -23.66 27.23 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.727 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.541 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.41 -12.02 22.13 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 -178.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.473 ' H ' ' C ' ' A' ' 34' ' ' SER . 41.2 mmm -61.76 -28.33 69.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.492 -0.854 . . . . 0.0 110.073 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -49.31 47.33 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.732 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -29.55 64.58 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.923 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 91.3 m -83.36 -45.12 14.1 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.309 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 20' ' ' TYR . . . -62.85 -43.1 99.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.668 -178.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.71 -42.33 97.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.03 0.443 . . . . 0.0 110.928 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.411 ' HA ' HD13 ' A' ' 42' ' ' ILE . 9.6 mm -66.72 -40.97 87.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.397 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.528 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 31.7 t-80 -54.21 -49.92 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.371 -177.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HG2' HD21 ' A' ' 19' ' ' ASN . 4.0 mmmt -43.92 -32.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.721 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.8 m-85 -95.07 -29.3 14.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.769 -178.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -123.99 99.63 37.69 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.457 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.9 Cg_endo -74.93 -38.68 1.52 Allowed 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 121.832 1.688 . . . . 0.0 111.811 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -70.2 2.75 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -62.08 -75.65 0.07 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.033 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 4.7 p90 -166.32 160.22 15.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.601 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -82.67 95.49 7.84 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 32.9 t80 -61.4 -19.82 62.36 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.938 0.399 . . . . 0.0 111.113 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.51 -14.77 57.97 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.804 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.47 -9.39 32.69 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.463 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 52' ' ' TYR . 85.3 mt -77.84 145.19 36.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.049 0.452 . . . . 0.0 111.004 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.41 169.2 7.43 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.212 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -74.04 -20.91 18.79 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.152 1.901 . . . . 0.0 110.32 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.78 74.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.231 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -77.6 44.5 0.45 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.238 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -65.83 -56.71 10.48 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 8.3 ptm180 -50.07 -46.35 53.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.193 0.521 . . . . 0.0 110.167 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.512 ' N ' ' CG ' ' A' ' 61' ' ' ARG . 86.6 m-70 -63.52 -31.75 73.0 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.605 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 25.1 t30 -62.32 -40.78 97.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.338 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.522 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 37.9 m-85 -68.76 -53.83 19.54 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.522 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.458 ' OG1' HG21 ' A' ' 83' ' ' VAL . 13.2 m -54.53 -42.18 70.57 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.4 tp -59.81 -48.55 81.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.028 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.89 79.33 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.984 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -80.53 -52.23 7.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.148 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.8 t -61.64 -29.1 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -79.27 -45.56 19.51 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.496 -0.481 . . . . 0.0 110.011 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.8 81.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.092 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 76' ' ' ASP . 98.2 mt-10 -74.17 -47.39 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.28 0.562 . . . . 0.0 110.759 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -59.04 -44.23 91.75 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.978 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 99.1 mt -80.55 -40.0 26.71 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.3 5.38 7.74 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 72' ' ' GLU . 32.0 t0 47.44 33.42 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.878 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 76' ' ' ASP . 29.4 p -50.47 -164.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.607 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.03 167.61 16.7 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.157 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -135.44 38.74 2.89 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 2.1 mt -69.98 -17.05 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.503 -178.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.5 mt -110.06 144.78 38.15 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.263 0.554 . . . . 0.0 111.915 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.7 129.77 56.73 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.087 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.458 HG21 ' OG1' ' A' ' 65' ' ' THR . 79.4 t -48.81 -53.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.584 -179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -54.82 -45.33 74.42 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.237 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 94.1 m-20 -61.06 -44.93 96.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.098 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.522 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 10.2 mtp -62.85 -45.67 91.5 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.289 0.566 . . . . 0.0 110.263 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 83' ' ' VAL . 55.1 t -61.25 -52.45 61.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.845 -1.071 . . . . 0.0 111.944 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.537 ' CG ' ' N ' ' A' ' 89' ' ' LEU . 7.2 ptm180 -67.28 -44.76 78.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.785 0.326 . . . . 0.0 111.722 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.537 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 65.9 mt -62.17 -54.2 44.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.058 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 62.56 22.26 13.18 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 -177.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 90' ' ' ALA . 69.9 t -161.0 87.03 1.71 Allowed Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.506 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -73.52 -172.8 1.14 Allowed 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 121.847 1.698 . . . . 0.0 111.358 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -120.35 129.78 54.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.241 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.3 m -52.16 -31.63 32.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.966 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -71.2 -42.34 69.11 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.178 0.513 . . . . 0.0 110.058 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.4 m -63.49 -49.72 72.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.303 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 63.4 t -61.46 -43.9 97.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.486 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 14.3 t80 -57.7 -50.78 72.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.143 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.0 m -57.75 -43.69 85.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.903 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -61.52 -50.22 73.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.446 0.641 . . . . 0.0 110.231 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.97 -40.88 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.114 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.86 -60.49 3.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.863 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -59.56 -47.19 86.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.642 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.24 -46.04 89.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.906 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -51.42 -47.45 63.0 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.66 0.743 . . . . 0.0 109.711 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.1 mtp-105 -60.19 -38.74 84.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.134 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 t -61.15 -41.39 96.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.979 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.84 -36.37 82.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.39 -48.49 86.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.899 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -66.61 -47.7 71.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -55.81 -28.8 58.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.192 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.3 18.87 56.59 Favored Glycine 0 N--CA 1.465 0.57 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.6 mt -74.37 -42.38 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.464 -0.868 . . . . 0.0 110.866 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.01 -35.67 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.102 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -98.51 72.73 2.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.074 0.464 . . . . 0.0 110.204 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -111.77 -35.85 5.62 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.479 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.409 ' H ' ' HG2' ' A' ' 117' ' ' LYS . 69.4 mmtt -49.19 -62.88 1.3 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.425 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -53.07 155.73 2.41 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.26 -179.73 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -70.13 -30.83 19.97 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.212 1.941 . . . . 0.0 110.376 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.49 -39.46 93.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.648 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 6' ' ' LYS . . . -76.38 142.12 27.72 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 7' ' ' ASN . 70.9 p -47.54 -15.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 0.0 110.414 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' N ' ' C ' ' A' ' 4' ' ' GLY . 46.5 mtmt -66.63 6.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.636 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 5' ' ' SER . 41.1 t30 -71.42 -41.01 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.415 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.4 tpt -52.72 -56.33 16.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.568 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.408 HD22 ' CG2' ' A' ' 101' ' ' ILE . 86.0 mt -64.69 -44.32 90.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.23 -47.28 86.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.44 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.5 -50.3 73.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.594 1.188 . . . . 0.0 110.021 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -59.69 -61.85 2.31 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 112.574 -2.103 . . . . 0.0 111.588 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.6 m -52.27 -44.13 64.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.934 0.397 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -57.59 -45.51 85.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.352 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.7 -41.56 61.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.203 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.8 mmt -84.21 -10.32 57.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.775 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.545 ' OG1' HD12 ' A' ' 25' ' ' ILE . 4.0 m -89.42 -17.41 28.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.027 0.442 . . . . 0.0 111.286 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -62.58 -55.16 29.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.574 0.702 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.43 HD22 ' HE2' ' A' ' 44' ' ' LYS . 90.1 m-20 -51.28 -30.0 16.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.701 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.49 ' OH ' ' ND1' ' A' ' 43' ' ' HIS . 25.8 m-85 -89.15 149.85 22.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.717 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 23' ' ' VAL . 98.9 mt-10 -119.7 173.65 6.89 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.669 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.616 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 43.4 t-80 63.06 0.81 0.77 Allowed 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.533 ' H ' ' C ' ' A' ' 21' ' ' GLU . 96.0 t -125.76 128.67 72.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.746 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 99.6 m-20 -140.71 108.56 5.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.6 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.545 HD12 ' OG1' ' A' ' 17' ' ' THR . 97.0 mt -84.71 88.87 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 121.561 0.696 . . . . 0.0 112.632 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -92.93 -24.87 18.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.121 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -147.84 -173.96 4.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.221 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.448 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 55.5 m-85 -105.59 -12.02 16.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.987 0.422 . . . . 0.0 110.469 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.2 m -104.04 -71.84 0.72 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.3 t -60.41 -42.88 96.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.517 -178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 m -71.32 1.94 5.5 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.216 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.448 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 33.5 m95 -113.85 -6.1 13.23 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.538 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.1 p -62.52 -3.8 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.567 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.467 ' C ' ' H ' ' A' ' 36' ' ' MET . 9.0 t -90.94 -25.78 19.6 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.598 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.8 -15.08 16.08 Favored Glycine 0 CA--C 1.517 0.177 0 N-CA-C 108.987 -1.645 . . . . 0.0 108.987 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' HIS . 58.0 mtp -65.85 -32.25 73.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 114.64 -0.78 . . . . 0.0 110.091 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.34 -53.43 57.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.431 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -57.45 -44.95 85.16 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.041 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 3.6 m -66.9 -45.59 77.49 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.4 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.33 98.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.372 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.3 tp -65.5 -42.51 92.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.933 0.397 . . . . 0.0 111.157 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.53 -43.07 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.569 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.49 ' ND1' ' OH ' ' A' ' 20' ' ' TYR . 48.7 t-80 -54.36 -47.28 72.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.069 0.461 . . . . 0.0 111.499 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HE2' HD22 ' A' ' 19' ' ' ASN . 22.9 tptp -42.62 -34.96 0.97 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.337 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -99.25 -21.89 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 85.6 m-85 -127.64 64.42 63.61 Favored Pre-proline 0 C--O 1.215 -0.736 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.54 -38.54 16.46 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.844 1.696 . . . . 0.0 111.74 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -59.29 -28.49 66.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' PHE . . . -34.37 -72.63 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.709 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CD2' HD21 ' A' ' 66' ' ' LEU . 5.5 p90 -167.69 162.33 13.94 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.53 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -80.82 89.62 5.83 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -52.68 -23.39 6.55 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.038 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.94 -17.4 50.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.554 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -88.54 -17.98 29.1 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -80.63 151.86 28.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.056 0.455 . . . . 0.0 111.533 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -119.46 162.86 30.19 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.194 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -73.94 -18.34 21.66 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 122.097 1.865 . . . . 0.0 110.585 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.03 92.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.385 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -91.38 51.3 1.88 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.092 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -65.06 -42.23 94.4 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -52.83 -52.87 55.44 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.55 0.69 . . . . 0.0 110.618 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -60.61 -32.49 71.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.229 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.464 ' CG ' ' SG ' ' A' ' 39' ' ' CYS . 4.0 t-20 -63.62 -40.54 97.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.034 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.3 m-85 -65.28 -57.87 7.37 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.033 -0.667 . . . . 0.0 109.358 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.499 ' OG1' HG21 ' A' ' 83' ' ' VAL . 13.6 m -53.49 -43.49 68.26 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.748 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 50' ' ' PHE . 61.3 tp -59.86 -48.16 82.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.078 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -61.65 -39.12 90.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.047 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -77.55 -46.72 21.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.945 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.7 p -66.36 -26.32 67.22 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.803 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -76.61 -48.95 17.5 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.443 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.8 76.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.955 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ASP . 81.0 tt0 -71.6 -50.8 27.46 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.962 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -61.97 -40.84 96.96 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.915 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.5 mt -85.28 -40.15 16.91 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.91 -0.87 10.55 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 77' ' ' CYS . 58.2 t0 49.96 28.99 3.14 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 119.571 -0.852 . . . . 0.0 109.784 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.451 ' O ' ' O ' ' A' ' 76' ' ' ASP . 14.3 p -49.72 -165.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.743 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.88 169.93 12.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.361 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -133.92 38.2 3.2 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.002 0.429 . . . . 0.0 109.866 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 8.5 mt -65.24 -19.89 66.17 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.359 -178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.16 143.59 42.95 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.348 0.594 . . . . 0.0 112.039 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 95.8 mt-10 -114.29 134.09 55.2 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.466 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG21 ' OG1' ' A' ' 65' ' ' THR . 84.0 t -51.59 -53.25 17.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.563 -178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -52.25 -45.02 65.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.443 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.6 OUTLIER -64.94 -41.47 95.48 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.19 0.519 . . . . 0.0 110.554 -179.646 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.509 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 4.0 mtp -61.94 -45.45 93.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.69 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.57 -44.33 93.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.024 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -71.46 -48.8 47.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.8 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.58 -52.47 60.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.138 0.494 . . . . 0.0 110.541 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.11 26.58 15.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -177.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 90' ' ' ALA . 73.5 t -163.34 87.52 1.27 Allowed Pre-proline 0 CA--C 1.536 0.413 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.833 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -72.41 -170.91 0.63 Allowed 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 121.908 1.738 . . . . 0.0 111.348 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.479 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 57.5 t0 -126.23 130.16 50.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.946 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.8 p -47.02 -30.24 2.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.532 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -34.77 60.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.632 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.618 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 4.9 p -68.16 -47.86 66.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.905 0.383 . . . . 0.0 110.597 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.618 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 97.2 t -67.13 -43.86 88.33 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.54 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.228 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.5 t80 -59.95 -51.09 71.17 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.088 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 m -58.69 -43.06 89.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.165 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -62.01 -50.63 71.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.264 0.554 . . . . 0.0 110.204 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.408 ' CG2' HD22 ' A' ' 9' ' ' LEU . 10.5 mm -61.59 -40.82 87.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.143 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -50.17 -62.26 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.81 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -57.55 -43.83 84.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.693 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.08 -45.38 94.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -53.97 -47.78 71.02 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.482 0.658 . . . . 0.0 109.696 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -60.4 -43.51 96.6 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.867 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -58.48 -40.94 84.13 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.772 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.42 ' CB ' HG23 ' A' ' 114' ' ' VAL . 95.1 mt -63.64 -39.11 93.52 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.577 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.87 -46.46 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.416 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.67 -47.93 79.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -60.73 -22.57 64.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.85 19.86 72.02 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.2 mt -75.03 -43.27 54.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.431 -0.885 . . . . 0.0 111.233 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.42 HG23 ' CB ' ' A' ' 108' ' ' LEU . 67.5 t -42.86 -65.49 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -177.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -74.4 67.19 1.42 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.911 0.386 . . . . 0.0 110.482 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.0 m -64.73 -61.42 2.2 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.049 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -52.84 143.79 15.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.261 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.19 120.51 24.64 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.211 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 64.3 pttt . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.634 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.574 ' C ' ' H ' ' A' ' 4' ' ' GLY . 2.8 Cg_endo -71.78 58.79 2.69 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.417 2.078 . . . . 0.0 109.986 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.8 25.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.682 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.574 ' H ' ' C ' ' A' ' 2' ' ' PRO . . . 130.21 85.8 0.4 Allowed Glycine 0 N--CA 1.464 0.524 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -53.84 -33.39 56.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.947 0.403 . . . . 0.0 110.23 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -76.9 1.21 18.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.632 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 9.3 t30 -65.34 -39.39 92.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.7 ttt -58.76 -45.88 88.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.197 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.77 -47.64 85.38 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.136 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.85 -44.54 94.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -59.99 -55.47 33.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.713 1.244 . . . . 0.0 109.954 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 75.2 t90 -51.52 -61.98 1.91 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 112.501 -2.136 . . . . 0.0 111.354 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' SG ' HD13 ' A' ' 41' ' ' LEU . 1.4 t -53.28 -44.66 68.43 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.306 0.574 . . . . 0.0 111.22 179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -60.62 -35.75 76.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.529 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 12' ' ' TRP . . . -62.36 -17.52 59.17 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.415 -178.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.7 ptp -120.87 -3.28 9.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.643 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 m -88.54 -13.36 40.34 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.252 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -65.53 -40.72 93.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.677 0.751 . . . . 0.0 109.624 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -57.99 -34.45 70.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.037 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.485 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 69.8 m-85 -93.46 152.39 19.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.796 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 23' ' ' VAL . 94.7 mt-10 -117.82 173.41 6.77 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.666 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.628 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 47.0 t-80 64.31 6.67 3.13 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 122.062 0.935 . . . . 0.0 108.805 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 21' ' ' GLU . 63.9 t -126.14 127.96 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.186 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -140.67 108.56 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.778 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.02 89.0 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.475 0.655 . . . . 0.0 112.483 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.48 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 75.4 mt-30 -99.1 -26.03 14.35 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.102 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 26' ' ' GLN . 12.5 m120 -149.64 -174.91 4.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.354 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.429 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 89.1 m-85 -104.99 -11.51 16.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.218 0.533 . . . . 0.0 110.422 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.9 p -105.41 -72.64 0.7 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.979 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -60.65 -44.04 96.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.333 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -70.17 -0.72 8.35 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.571 -0.451 . . . . 0.0 110.918 -178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.432 ' C ' ' H ' ' A' ' 34' ' ' SER . 29.7 m95 -112.47 -4.16 14.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.016 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -62.24 0.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.214 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 36' ' ' MET . 59.8 p -96.52 -25.04 15.78 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.701 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 77.69 -13.95 11.18 Favored Glycine 0 CA--C 1.517 0.204 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 -178.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.502 ' H ' ' C ' ' A' ' 34' ' ' SER . 3.0 mmt -64.7 -27.47 68.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.553 -0.823 . . . . 0.0 110.305 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 -51.93 62.05 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.766 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -58.27 -45.68 87.42 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.099 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.493 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 4.5 m -66.53 -47.06 74.11 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.264 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.485 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -61.64 -41.92 98.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.323 -178.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.502 HD13 ' SG ' ' A' ' 13' ' ' CYS . 55.9 tp -64.31 -43.4 94.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 110.886 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mm -67.21 -43.92 88.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.718 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 46.1 t-80 -57.95 -10.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.547 -178.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -71.65 -39.22 70.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.802 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -104.97 -9.64 17.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.83 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.457 ' CD1' HD13 ' A' ' 74' ' ' LEU . 88.3 m-85 -129.3 94.59 32.81 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.557 -178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -75.71 -36.11 2.32 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.924 1.749 . . . . 0.0 111.518 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -69.37 -1.49 8.44 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -61.32 -75.85 0.06 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.894 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 10.1 p90 -167.19 160.97 14.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.668 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -83.62 93.34 7.86 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' HA ' HD12 ' A' ' 55' ' ' LEU . 64.9 t80 -59.84 -21.66 61.23 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.928 -179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.77 -8.62 59.73 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -101.67 -14.99 17.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.435 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 52' ' ' TYR . 85.5 mt -74.26 150.4 40.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 110.98 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.02 164.63 16.17 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.06 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.24 -24.35 14.62 Favored 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 122.161 1.907 . . . . 0.0 110.068 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.5 85.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.366 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -80.67 51.47 1.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.579 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 61' ' ' ARG . 25.2 ptt-85 -72.12 -44.93 62.41 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 94.6 mtm-85 -53.26 -46.39 69.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.304 0.573 . . . . 0.0 109.984 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -66.79 -33.25 75.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.493 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 17.1 t-20 -62.49 -41.34 98.74 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.052 0.453 . . . . 0.0 110.475 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.447 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 48.2 m-85 -69.05 -53.4 20.59 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.736 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.483 ' OG1' HG21 ' A' ' 83' ' ' VAL . 15.5 m -56.6 -43.14 79.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.403 HD21 ' CG ' ' A' ' 50' ' ' PHE . 48.7 tp -61.01 -47.77 84.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.096 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.34 78.93 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.94 -0.704 . . . . 0.0 109.969 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 42.2 m-85 -82.38 -51.4 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.975 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.4 p -60.64 -29.86 69.51 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.79 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.416 HG22 HD12 ' A' ' 74' ' ' LEU . 97.7 m -76.64 -49.34 16.44 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.366 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.7 -29.67 70.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 76' ' ' ASP . 44.2 tt0 -70.28 -52.47 22.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.081 0.467 . . . . 0.0 110.53 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -61.69 -37.03 82.64 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.866 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 46' ' ' PHE . 97.7 mt -80.35 -44.81 18.82 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.2 5.54 7.1 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.6 t0 47.1 33.9 2.63 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.898 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.1 t -48.83 -165.74 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.599 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.02 169.95 13.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.362 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.414 ' NE2' ' OE2' ' A' ' 72' ' ' GLU . 74.4 mt-30 -131.86 42.18 3.19 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.11 -23.53 64.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.399 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -110.46 141.98 42.83 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 121.181 0.515 . . . . 0.0 112.09 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' O ' ' OD2' ' A' ' 85' ' ' ASP . 68.4 mm-40 -115.07 128.84 56.49 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.547 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG21 ' OG1' ' A' ' 65' ' ' THR . 78.2 t -44.21 -53.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.444 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -53.88 -47.67 70.84 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.331 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 86' ' ' MET . 0.5 OUTLIER -62.68 -43.43 98.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.064 0.459 . . . . 0.0 110.315 -179.529 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.522 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 6.9 mtp -61.96 -45.58 93.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.6 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 83' ' ' VAL . 79.9 t -68.24 -41.64 84.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.9 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -71.96 -48.76 42.87 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.729 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.52 -49.61 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.263 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 56.48 29.22 14.99 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.723 HG12 ' O ' ' A' ' 91' ' ' VAL . 73.4 t -161.01 60.91 1.34 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 113.785 -1.552 . . . . 0.0 109.893 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.502 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.4 Cg_endo -44.99 -179.02 0.0 OUTLIER 'Trans proline' 0 N--CA 1.488 1.158 0 C-N-CA 121.965 1.777 . . . . 0.0 111.41 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -118.51 130.61 56.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.317 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 m -49.44 -33.4 14.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.038 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' O ' ' OG1' ' A' ' 99' ' ' THR . 25.8 ttpp -73.44 -36.69 65.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.55 179.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 60.4 m -66.43 -51.88 52.35 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.64 -43.47 94.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 28.6 t80 -60.09 -50.83 72.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.966 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 95' ' ' LYS . 18.7 m -58.07 -43.27 86.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.029 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -63.0 -51.07 68.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.492 0.663 . . . . 0.0 110.171 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.0 mm -60.26 -40.2 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.961 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -52.68 -59.43 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.653 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.31 -45.6 90.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.551 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.01 -46.35 88.42 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.621 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -53.26 -47.66 68.9 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.76 0.791 . . . . 0.0 109.687 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -61.24 -43.02 99.55 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.235 -178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.5 m -58.63 -40.97 84.88 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.089 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.14 -40.11 94.84 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.973 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.95 -45.5 98.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 -178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -62.23 -50.4 71.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.3 -17.05 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.235 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.9 20.79 77.51 Favored Glycine 0 N--CA 1.464 0.537 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.8 mt -72.88 -43.4 62.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.381 -0.91 . . . . 0.0 111.024 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -36.44 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.402 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -82.16 58.66 4.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.137 0.494 . . . . 0.0 110.299 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 116' ' ' THR . 97.7 m -100.07 -7.26 25.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.335 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' LYS . 14.2 mptt -54.98 -73.4 0.05 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.333 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' LYS . 63.0 tttm -40.79 131.59 2.38 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.338 -179.108 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -71.2 114.69 3.99 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.365 2.043 . . . . 0.0 110.675 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.2 mt -70.05 -32.7 70.95 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.507 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.66 38.61 9.45 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -68.89 -61.22 1.89 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 110.982 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -97.87 1.73 48.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.615 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -69.94 -38.61 76.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.951 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.8 tpt -56.42 -48.78 76.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.198 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 98' ' ' TYR . 91.2 mt -64.76 -43.38 93.49 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.482 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.8 -46.81 87.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.454 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -59.31 -51.14 71.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.525 1.155 . . . . 0.0 109.989 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.404 ' CD1' ' HE1' ' A' ' 16' ' ' MET . 75.5 t90 -57.62 -60.9 2.98 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.382 -2.19 . . . . 0.0 111.241 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' THR . 6.9 m -54.25 -45.24 72.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.123 0.487 . . . . 0.0 110.798 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.599 HH12 ' CZ ' ' A' ' 18' ' ' ARG . 69.3 ttp85 -61.92 -51.07 69.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.694 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.27 26.91 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.289 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.404 ' HE1' ' CD1' ' A' ' 12' ' ' TRP . 13.9 mtm -112.69 -3.6 14.23 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.652 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.525 ' O ' HG22 ' A' ' 17' ' ' THR . 95.3 m -113.98 -6.7 13.15 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.599 ' CZ ' HH12 ' A' ' 14' ' ' ARG . 38.5 ttm180 -63.69 -59.9 3.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -45.05 -20.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.644 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.469 ' N ' ' C ' ' A' ' 18' ' ' ARG . 12.2 m-85 -90.27 104.24 16.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.816 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.617 ' C ' ' H ' ' A' ' 23' ' ' VAL . 80.3 mm-40 -72.17 178.7 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.769 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.552 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 26.2 t-80 63.59 -4.43 0.33 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.617 ' H ' ' C ' ' A' ' 21' ' ' GLU . 58.4 t -128.6 129.86 68.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.939 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -143.44 108.89 5.06 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.642 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 mt -76.52 97.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -109.59 -12.05 14.71 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.754 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 22.2 t-20 -170.17 -178.13 2.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.348 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 64.0 m-85 -99.74 -9.76 22.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.136 0.493 . . . . 0.0 110.344 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 t -107.77 -69.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -58.39 -45.57 88.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.069 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -72.31 1.26 8.09 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.973 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.418 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 32.8 m95 -113.54 -8.58 13.33 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.699 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -54.84 -23.3 17.77 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.666 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 36' ' ' MET . 79.5 p -77.89 -21.08 51.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 75.87 -8.92 19.53 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 108.814 -1.715 . . . . 0.0 108.814 -178.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.476 ' H ' ' C ' ' A' ' 34' ' ' SER . 4.8 mmt -65.28 -29.19 69.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.517 -0.842 . . . . 0.0 110.458 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -52.32 65.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.409 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CZ ' ' CD1' ' A' ' 81' ' ' LEU . 27.4 m-85 -57.06 -44.09 82.69 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.972 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.47 ' SG ' ' CG ' ' A' ' 63' ' ' ASN . 3.5 m -71.03 -44.63 65.44 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.46 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.75 95.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.484 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.32 -42.75 99.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.594 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.0 mm -67.76 -42.78 86.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.355 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 29.9 t-80 -57.41 -13.7 3.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.28 -178.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -74.58 -39.27 62.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.802 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.84 -19.35 18.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.71 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CD1' HD13 ' A' ' 74' ' ' LEU . 98.1 m-85 -126.24 99.07 31.55 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.476 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.06 -37.84 1.82 Allowed 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.929 1.753 . . . . 0.0 111.763 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.65 -7.26 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.5 -76.36 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.955 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.509 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 7.3 p90 -168.26 162.11 12.54 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.663 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.87 90.15 6.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.451 ' HA ' HD12 ' A' ' 55' ' ' LEU . 44.6 t80 -58.61 -21.03 52.33 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.06 -13.48 59.27 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.452 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -93.4 -15.39 25.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.677 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 52' ' ' TYR . 85.2 mt -76.38 150.78 36.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.61 170.05 8.68 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.165 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -75.05 -11.79 21.4 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.275 1.983 . . . . 0.0 110.171 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.82 -8.38 58.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.931 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -112.15 49.77 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.264 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.4 mtm-85 -69.99 -51.42 32.63 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' HG21 ' A' ' 87' ' ' VAL . 79.1 mtp85 -52.42 -45.04 65.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.335 0.588 . . . . 0.0 110.25 -178.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -66.69 -36.17 81.89 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.47 ' CG ' ' SG ' ' A' ' 39' ' ' CYS . 7.0 t-20 -62.45 -42.75 99.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.455 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 48.1 m-85 -67.43 -54.26 21.87 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.81 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.0 m -56.37 -44.41 80.14 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.371 -0.532 . . . . 0.0 109.574 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.442 HD21 ' CG ' ' A' ' 50' ' ' PHE . 58.2 tp -61.34 -46.01 92.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.236 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.74 89.31 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.138 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 40.2 m-85 -80.39 -48.08 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.985 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -61.93 -29.09 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.009 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 28.8 m -79.03 -45.93 19.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.254 178.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.77 81.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.006 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 76' ' ' ASP . 95.7 mt-10 -72.18 -47.36 51.35 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.245 0.545 . . . . 0.0 110.841 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.76 -41.98 98.38 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.64 -0.824 . . . . 0.0 110.838 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.509 HD13 ' CD1' ' A' ' 46' ' ' PHE . 94.1 mt -78.37 -40.21 36.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.19 7.73 5.05 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 72' ' ' GLU . 89.0 m-20 45.6 38.96 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.015 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.476 ' O ' ' O ' ' A' ' 76' ' ' ASP . 15.1 p -47.72 -166.39 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.648 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.15 169.8 13.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.443 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -126.15 68.98 1.2 Allowed 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mt -101.94 -22.6 14.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.399 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' CD1' ' CZ ' ' A' ' 38' ' ' PHE . 22.2 mt -113.49 137.05 52.1 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.181 0.515 . . . . 0.0 112.024 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.65 128.54 56.42 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.064 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 87' ' ' VAL . 94.0 t -47.76 -52.43 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.865 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -54.61 -45.92 73.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.399 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.22 -42.94 99.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.996 0.427 . . . . 0.0 110.391 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.455 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.6 mtp -61.47 -42.53 98.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.501 0.667 . . . . 0.0 110.082 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 83' ' ' VAL . 68.9 t -63.22 -43.81 98.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.213 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -73.28 -47.82 39.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.793 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 54.6 mt -53.02 -62.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 71.63 17.8 5.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 -177.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 90' ' ' ALA . 55.1 t -163.77 91.98 1.1 Allowed Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.31 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -70.73 176.37 7.59 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.88 1.72 . . . . 0.0 111.747 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 97.1 m-20 -113.68 128.5 56.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.192 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.3 m -50.35 -33.9 22.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.221 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -68.29 -42.39 79.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.827 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 1.7 p -65.41 -46.92 78.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.604 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.642 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 94.5 t -62.86 -45.14 99.6 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CE2' HD12 ' A' ' 9' ' ' LEU . 19.1 t80 -61.1 -51.21 70.08 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.165 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.441 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 18.8 m -57.86 -42.66 84.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.854 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.09 -50.22 74.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.448 0.642 . . . . 0.0 110.159 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.9 mm -61.02 -41.04 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -51.96 -60.86 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.752 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 99' ' ' THR . 4.7 mp0 -58.67 -45.42 89.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.753 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.74 -45.35 92.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.772 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -53.02 -46.88 68.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.784 0.802 . . . . 0.0 109.412 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.13 -42.48 98.62 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.866 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.3 p -60.2 -36.92 78.74 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.938 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HB3' HG23 ' A' ' 114' ' ' VAL . 95.7 mt -64.22 -41.37 97.06 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.118 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.75 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -53.53 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -55.3 -19.22 7.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.241 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.23 20.69 71.96 Favored Glycine 0 N--CA 1.462 0.375 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.77 -46.79 28.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.375 -0.912 . . . . 0.0 111.143 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 108' ' ' LEU . 2.3 t -68.85 -42.2 82.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.819 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -83.08 68.26 9.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.51 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.9 m -71.62 -53.67 12.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.401 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -145.87 148.02 32.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -120.73 148.46 43.93 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 59.1 pttt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.936 -1.031 . . . . 0.0 110.591 -179.783 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.112 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -70.17 -20.18 33.21 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.282 1.988 . . . . 0.0 110.07 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 98.8 mt -62.06 -32.05 72.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.513 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.13 78.13 0.32 Allowed Glycine 0 N--CA 1.466 0.677 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 53.4 p -67.14 -61.49 1.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.088 0.471 . . . . 0.0 110.584 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' N ' ' OG ' ' A' ' 5' ' ' SER . 24.1 pttm -50.47 -34.2 24.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.644 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -60.84 -41.54 96.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.857 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.4 tpt -60.71 -48.41 81.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.397 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 98' ' ' TYR . 94.8 mt -65.7 -40.57 92.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.283 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 10' ' ' LEU . 39.8 tp -62.47 -49.36 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.808 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.0 -54.28 48.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.637 1.208 . . . . 0.0 110.245 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -53.73 -60.98 2.61 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 112.323 -2.217 . . . . 0.0 111.566 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.599 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 15.6 p -53.97 -44.49 70.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.028 0.442 . . . . 0.0 111.14 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.599 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 58.8 ttt85 -60.38 -52.01 67.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.633 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.27 -18.6 0.99 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.508 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.4 mtm -113.9 -0.78 14.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.911 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.3 m -103.66 -10.03 18.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.083 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -65.86 -50.58 64.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.514 0.673 . . . . 0.0 109.754 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -48.03 -27.53 2.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.696 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.431 ' CD2' ' HB1' ' A' ' 40' ' ' ALA . 43.9 m-85 -87.96 150.66 23.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.659 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 22' ' ' HIS . 28.1 tt0 -114.77 167.92 10.35 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.73 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.608 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 50.1 t-80 66.17 4.06 2.96 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.436 ' H ' ' C ' ' A' ' 21' ' ' GLU . 99.0 t -126.09 128.39 71.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.18 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OG ' ' A' ' 31' ' ' SER . 66.6 t0 -143.19 108.19 4.94 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.6 mt -79.98 98.04 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -112.34 -6.48 14.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.002 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.649 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -177.4 137.41 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.455 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 62.7 m-85 -60.5 -7.71 2.3 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.286 0.565 . . . . 0.0 110.672 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 27' ' ' ASN . 60.5 p -97.39 -77.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -58.27 -41.73 84.95 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.495 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 43.0 t -73.57 3.78 5.78 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.697 -178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.511 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 37.4 m95 -115.25 -9.53 12.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.681 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.0 m -54.28 -38.8 66.28 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.11 -0.236 . . . . 0.0 111.264 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -65.67 -23.81 66.87 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 81.36 -7.42 61.01 Favored Glycine 0 N--CA 1.458 0.143 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.3 mmm -61.57 -29.1 69.8 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.609 -0.795 . . . . 0.0 110.537 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.81 -50.98 60.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.751 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -57.87 -43.34 85.93 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.134 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 16.1 p -70.98 -45.9 63.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.031 0.443 . . . . 0.0 111.333 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.609 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -61.95 -43.6 98.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.755 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.78 -41.89 95.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.016 0.436 . . . . 0.0 111.029 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 42' ' ' ILE . 9.4 mm -64.94 -40.06 87.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.487 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -54.87 -48.44 72.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.554 -177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -33.31 1.54 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.702 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -95.38 -27.03 15.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.791 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.4 m-85 -126.93 99.87 28.38 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.485 -178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.41 -35.33 3.86 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.798 1.665 . . . . 0.0 111.757 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.96 -16.41 63.85 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.29 -73.68 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.264 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -169.93 164.52 9.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.667 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -86.47 105.44 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -63.64 -19.08 64.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.61 -22.6 34.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.671 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -85.11 -16.53 40.21 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.1 mt -82.96 149.26 27.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.037 0.446 . . . . 0.0 111.128 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.75 165.72 19.08 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.238 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -75.15 -12.88 21.22 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.189 1.926 . . . . 0.0 110.181 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.15 -9.01 59.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.17 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -113.23 55.16 0.71 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.088 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 60' ' ' ARG . 85.1 mtm-85 -70.5 -47.86 58.45 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -54.62 -47.81 72.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.294 0.568 . . . . 0.0 110.473 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -65.08 -35.01 79.78 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.495 HD21 ' CB ' ' A' ' 39' ' ' CYS . 9.9 t-20 -63.55 -43.55 96.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 47.9 m-85 -65.07 -54.56 28.15 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.67 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.3 m -56.32 -43.45 79.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.7 tp -62.24 -45.94 91.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.131 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.17 96.28 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.043 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -78.63 -52.08 8.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.944 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.5 p -59.75 -27.18 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.7 m -78.8 -45.03 21.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.28 178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.68 78.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.004 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.575 ' O ' ' N ' ' A' ' 76' ' ' ASP . 96.8 mt-10 -71.34 -52.01 21.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.088 0.471 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -60.04 -40.05 88.05 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.005 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.408 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.9 mt -83.95 -36.35 23.33 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -128.23 2.29 5.77 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 72' ' ' GLU . 91.4 m-20 47.86 37.81 7.94 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.0 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 76' ' ' ASP . 20.1 p -47.36 -168.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.652 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.9 171.29 12.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.342 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -123.99 56.58 1.24 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -90.89 -25.28 19.91 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.641 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -118.36 137.5 53.06 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 121.142 0.496 . . . . 0.0 112.005 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -109.58 143.91 38.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.192 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 87' ' ' VAL . 76.8 t -57.59 -52.7 54.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.677 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -55.88 -45.98 78.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.178 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -62.29 -45.04 95.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.016 0.436 . . . . 0.0 110.303 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.444 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.7 mtp -60.98 -42.27 98.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.708 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 83' ' ' VAL . 62.3 t -66.75 -45.37 88.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.206 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.85 -48.07 64.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.904 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.9 mt -62.5 -53.85 48.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.085 0.469 . . . . 0.0 110.461 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 61.27 24.77 14.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -177.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 90' ' ' ALA . 52.9 t -162.51 90.12 1.33 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 113.791 -1.55 . . . . 0.0 109.535 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -73.09 -175.16 1.82 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.956 1.771 . . . . 0.0 111.353 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -119.21 131.29 55.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.319 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.5 p -48.37 -32.42 7.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.883 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -76.76 -32.65 57.87 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.381 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.3 m -67.61 -52.28 40.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.481 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.35 -43.85 98.76 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.9 t80 -59.41 -51.48 69.74 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.071 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.1 m -58.73 -44.25 90.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.807 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -61.01 -50.39 73.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.45 0.643 . . . . 0.0 109.957 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.2 mm -60.61 -39.69 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.897 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -52.49 -59.49 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -59.84 -45.88 91.04 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.627 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 41.1 tp -61.06 -44.29 97.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.785 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 90.0 t80 -54.42 -48.25 71.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.629 0.728 . . . . 0.0 109.741 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.8 mtp-105 -60.57 -42.9 97.59 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.023 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.6 m -57.96 -41.1 82.18 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.868 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.402 ' HB3' HG23 ' A' ' 114' ' ' VAL . 95.6 mt -62.27 -41.11 98.18 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.96 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.12 -46.57 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.759 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.56 -48.23 81.94 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.9 -14.57 54.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.43 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.08 21.89 79.0 Favored Glycine 0 C--N 1.334 0.468 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.5 mt -72.35 -46.27 56.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.459 -0.87 . . . . 0.0 110.961 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.402 HG23 ' HB3' ' A' ' 108' ' ' LEU . 3.3 t -79.3 -34.3 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.313 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -95.91 99.35 11.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.818 0.342 . . . . 0.0 110.371 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.85 -17.92 11.44 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.19 106.31 1.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.295 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -124.43 118.44 26.67 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.434 -179.906 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 3.0 Cg_endo -71.28 -50.85 0.29 Allowed 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.163 1.908 . . . . 0.0 110.77 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.8 mt -63.55 -42.12 98.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.52 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.37 127.51 5.84 Favored Glycine 0 N--CA 1.466 0.652 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -69.66 -62.92 1.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.718 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -50.45 -31.91 16.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -61.91 -39.9 93.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -61.08 -43.76 98.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.3 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.78 -45.01 91.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.74 -45.84 92.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.11 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -60.24 -53.04 62.37 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 122.485 1.136 . . . . 0.0 109.8 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -54.17 -59.23 4.94 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 112.749 -2.023 . . . . 0.0 111.283 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' THR . 10.0 t -55.75 -40.59 72.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.114 0.483 . . . . 0.0 110.972 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -61.36 -45.13 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.551 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -28.38 61.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.848 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.67 -7.67 13.83 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.837 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' THR . 52.2 m -99.46 -11.34 21.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.634 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -69.54 -46.08 67.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 109.105 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 20' ' ' TYR . 47.0 p-10 -48.12 -25.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.949 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 59.3 m-85 -96.34 104.48 16.45 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 23' ' ' VAL . 13.9 pt-20 -66.63 179.6 1.02 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.321 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.58 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 45.8 t-80 62.17 -0.23 0.5 Allowed 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.541 ' H ' ' C ' ' A' ' 21' ' ' GLU . 49.0 t -128.29 129.17 69.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.012 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -144.85 109.48 4.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.536 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.415 HD11 ' SG ' ' A' ' 13' ' ' CYS . 83.9 mt -72.93 101.46 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -178.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -105.44 -33.3 8.19 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.048 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' H ' ' HB3' ' A' ' 31' ' ' SER . 78.3 m-20 -158.98 144.34 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.896 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.472 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 43.9 m-85 -61.44 -8.17 3.83 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.832 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.0 p -99.09 -76.82 0.53 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.6 p -60.99 -37.67 83.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.429 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.483 ' HG ' ' HD1' ' A' ' 32' ' ' TRP . 1.1 p -72.94 -0.11 12.74 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.075 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.483 ' HD1' ' HG ' ' A' ' 31' ' ' SER . 37.6 m95 -115.54 -8.62 12.13 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.374 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 t -58.5 -17.2 19.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.434 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 36' ' ' MET . 54.2 p -86.03 -21.6 27.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.542 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 78.9 -11.51 27.63 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.434 ' H ' ' C ' ' A' ' 34' ' ' SER . 24.4 mmm -61.99 -32.6 73.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.691 -0.755 . . . . 0.0 110.214 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.23 -51.7 62.38 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.853 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -57.47 -45.31 84.94 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.722 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 14.9 p -69.71 -45.04 69.13 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.632 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.573 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.34 -42.15 99.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 tp -64.04 -42.54 97.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.743 0.306 . . . . 0.0 110.97 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 42' ' ' ILE . 28.2 mm -65.16 -42.9 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.602 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 39.9 t-80 -57.03 -41.02 77.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -37.93 29.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.853 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -88.97 -26.83 21.29 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.455 ' CG ' HD13 ' A' ' 74' ' ' LEU . 44.0 m-85 -128.66 97.28 27.88 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.55 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.6 Cg_endo -75.06 -38.9 1.36 Allowed 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.074 1.849 . . . . 0.0 112.05 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -66.78 -0.87 3.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.515 0.674 . . . . 0.0 109.378 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -64.12 -64.82 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.306 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.485 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 13.1 p90 -171.38 163.12 6.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.026 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -86.62 94.04 9.36 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.411 ' HA ' HD12 ' A' ' 55' ' ' LEU . 34.9 t80 -56.67 -23.21 40.11 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.92 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.31 -17.01 53.31 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.22 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -86.19 -18.0 33.36 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.073 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 52' ' ' TYR . 72.0 mt -68.9 -173.48 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.998 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.33 164.93 19.7 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.73 -13.12 20.03 Favored 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 121.648 1.565 . . . . 0.0 109.961 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.82 -9.0 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.387 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -116.05 45.2 1.79 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.106 -179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -64.88 -47.03 79.33 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -52.33 -46.42 66.05 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.314 0.578 . . . . 0.0 110.055 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -67.55 -34.58 77.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.233 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 49.0 t30 -61.42 -42.67 99.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.978 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 55.5 m-85 -66.83 -55.71 13.64 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.534 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.408 ' OG1' HG21 ' A' ' 83' ' ' VAL . 17.3 m -53.83 -42.55 68.59 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 70' ' ' THR . 65.5 tp -60.95 -48.83 80.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.58 -38.58 81.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.294 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -79.21 -46.74 17.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.0 t -63.34 -29.73 70.99 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.046 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 21.2 m -76.25 -47.69 22.93 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.25 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.7 -34.91 78.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.9 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 76' ' ' ASP . 93.1 mt-10 -71.78 -49.71 36.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 111.002 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.83 -41.11 95.14 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.961 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.455 HD13 ' CG ' ' A' ' 46' ' ' PHE . 94.8 mt -79.93 -43.69 21.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.45 8.31 7.74 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 72' ' ' GLU . 29.3 t0 45.99 40.14 6.57 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.675 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.9 t -50.95 -164.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.539 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.58 170.77 10.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.487 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -128.32 41.33 3.51 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.759 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.5 mt -67.34 -26.68 66.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.525 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mt -117.27 140.77 49.13 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.276 0.56 . . . . 0.0 111.828 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -108.72 142.77 38.75 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.255 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.431 ' O ' HG23 ' A' ' 87' ' ' VAL . 75.3 t -59.06 -52.03 65.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.644 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 4.1 p-10 -55.05 -46.3 75.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.056 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.64 -43.25 99.2 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.636 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.509 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 5.6 mtp -62.63 -41.63 99.13 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' VAL . 77.9 t -67.4 -43.21 87.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.072 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.74 -46.54 52.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.731 0.301 . . . . 0.0 111.522 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.65 -52.15 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.457 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.09 24.5 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -177.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 90' ' ' ALA . 70.2 t -162.13 88.68 1.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 113.767 -1.56 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -72.46 -167.36 0.33 Allowed 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 121.821 1.681 . . . . 0.0 111.327 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -128.05 132.84 49.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.091 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.4 t -49.46 -32.03 11.15 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.907 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -77.91 -32.66 51.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.78 0.324 . . . . 0.0 110.533 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 17.5 m -68.01 -52.69 32.74 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.312 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.62 -43.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.466 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 19.0 t80 -57.86 -50.7 72.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.281 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.9 m -58.23 -44.39 88.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.893 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.61 -49.64 74.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.289 0.566 . . . . 0.0 109.935 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.7 mm -60.32 -41.01 85.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.892 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.56 -62.29 1.68 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.305 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -57.88 -46.97 84.09 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.22 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.0 tp -60.37 -45.36 93.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.69 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.34 -49.24 70.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.495 0.664 . . . . 0.0 109.832 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -58.49 -43.89 89.2 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.878 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.6 m -57.31 -39.36 75.62 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.826 0.346 . . . . 0.0 110.293 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.65 -41.41 98.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.29 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.79 -46.1 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.93 -49.09 76.15 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.346 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.19 -18.02 56.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.174 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.77 20.83 75.76 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 40.3 mt -74.38 -44.38 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.979 0.419 . . . . 0.0 110.945 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.49 -38.72 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.158 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -80.85 55.25 2.37 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.871 0.367 . . . . 0.0 110.451 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 116' ' ' THR . 3.9 t -92.06 1.25 57.32 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -71.7 55.42 0.26 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.969 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -139.42 154.21 47.75 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.228 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.478 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -70.0 -26.01 26.89 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.167 1.911 . . . . 0.0 110.103 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.11 -8.87 41.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.618 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.57 55.64 0.49 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -64.4 -56.83 11.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.917 0.389 . . . . 0.0 110.798 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -80.25 -9.66 59.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.762 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 7' ' ' ASN . 1.2 m120 -60.21 -40.55 90.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 tpt -61.92 -47.24 85.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD12 ' CE2' ' A' ' 98' ' ' TYR . 92.1 mt -67.06 -40.94 87.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.34 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.19 -48.22 82.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.551 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.93 -52.26 66.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.555 1.169 . . . . 0.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.402 ' O ' ' CE ' ' A' ' 16' ' ' MET . 78.9 t90 -55.49 -59.98 4.06 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 112.472 -2.149 . . . . 0.0 111.533 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -54.61 -45.9 73.76 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.985 0.422 . . . . 0.0 110.706 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -58.92 -46.98 86.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.478 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -27.49 62.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.511 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.483 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.7 mpp? -104.25 0.4 29.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.733 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 17' ' ' THR . 39.5 m -103.43 -7.94 20.56 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.324 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 13.1 ptm180 -68.19 -42.53 79.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.622 0.725 . . . . 0.0 109.251 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.48 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 90.6 m-20 -52.68 -30.88 34.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.448 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' OH ' ' C ' ' A' ' 43' ' ' HIS . 81.8 m-85 -89.62 153.12 20.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.694 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 54.6 mp0 -116.94 169.81 9.11 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.476 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.649 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 32.2 t-80 64.67 3.91 2.15 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.461 ' H ' ' C ' ' A' ' 21' ' ' GLU . 85.9 t -123.1 126.82 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.248 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -139.96 105.75 5.16 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.659 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.2 mt -85.65 89.89 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -104.94 1.24 28.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.862 178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 28' ' ' PHE . 13.4 t-20 -170.08 179.29 3.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.246 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.424 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 54.5 m-85 -104.43 -10.43 17.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.949 0.404 . . . . 0.0 110.452 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 30' ' ' SER . 95.6 p -102.41 -69.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' ' OG ' ' A' ' 29' ' ' SER . 36.8 t -59.3 -40.9 87.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.645 -177.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -75.91 4.41 8.25 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.439 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.406 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 41.8 m95 -116.66 -11.24 11.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.748 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.437 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 67.3 m -55.5 -36.82 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.2 -178.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -69.54 -25.95 64.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' CA ' ' CZ ' ' A' ' 64' ' ' PHE . . . 82.5 -8.56 61.42 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 108.756 -1.737 . . . . 0.0 108.756 -177.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.9 mmm -60.72 -29.86 69.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.609 -0.796 . . . . 0.0 110.269 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.71 -50.43 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.917 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.58 -43.74 84.81 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.26 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 19.4 p -72.89 -45.52 57.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.011 0.434 . . . . 0.0 111.224 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.59 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.43 -42.72 99.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.634 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.61 -45.25 93.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.61 -42.92 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.746 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.419 ' C ' ' OH ' ' A' ' 20' ' ' TYR . 42.4 t-80 -57.51 -8.55 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.231 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HZ3' ' HG3' ' A' ' 16' ' ' MET . 0.2 OUTLIER -78.6 -37.41 42.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.536 -179.113 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -98.95 -17.7 18.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.255 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.444 ' CD1' HD13 ' A' ' 74' ' ' LEU . 98.6 m-85 -126.58 98.63 31.36 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.35 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -74.77 -37.57 2.13 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.844 1.696 . . . . 0.0 111.835 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.13 -0.07 5.41 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -60.12 -77.49 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 114.537 -1.211 . . . . 0.0 111.956 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CG ' HD21 ' A' ' 66' ' ' LEU . 8.1 p90 -166.65 159.96 14.57 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.545 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -81.81 92.6 6.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.512 ' HD1' ' HG ' ' A' ' 39' ' ' CYS . 64.5 t80 -56.08 -22.04 25.56 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.0 -22.79 36.34 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.499 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -81.05 -22.67 39.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -81.07 153.84 27.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.046 0.45 . . . . 0.0 111.22 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.12 169.11 9.51 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.291 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -75.32 -14.87 20.33 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.171 1.914 . . . . 0.0 110.176 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.14 -43.5 78.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.272 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -84.55 69.48 10.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.365 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 33' ' ' SER . 81.3 mtp180 -75.83 -51.21 13.07 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -50.67 -46.76 58.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.783 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -67.03 -36.57 82.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.731 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 18.2 t-20 -61.89 -43.83 98.04 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.048 0.451 . . . . 0.0 110.662 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.487 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 45.6 m-85 -68.92 -54.08 17.48 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.788 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.491 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.5 m -52.72 -43.15 65.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 50' ' ' PHE . 62.5 tp -59.81 -47.77 84.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.987 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -37.87 84.47 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.04 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -78.81 -53.05 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.6 m -60.94 -27.89 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.9 m -77.8 -45.33 24.79 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.265 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.71 78.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.972 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 96.6 mt-10 -73.8 -50.64 19.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.159 0.504 . . . . 0.0 111.002 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -58.74 -43.15 90.17 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.001 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 46' ' ' PHE . 95.9 mt -77.73 -45.98 23.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.69 7.19 9.42 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 61.8 t0 45.77 38.78 4.57 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.865 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.25 -163.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.509 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.63 170.64 12.35 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.353 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -138.75 41.03 2.17 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.068 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 mt -65.63 -19.23 65.83 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.224 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mt -113.36 146.74 38.97 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.204 0.526 . . . . 0.0 112.174 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -114.53 141.77 47.28 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.161 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.491 HG21 ' OG1' ' A' ' 65' ' ' THR . 67.1 t -56.3 -52.43 51.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.274 -178.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -55.22 -46.28 75.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.037 -178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.13 -44.6 95.14 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.47 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 6.1 mtp -61.99 -44.83 95.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.336 0.589 . . . . 0.0 109.656 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.65 -42.29 80.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.969 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.2 ttt-85 -70.03 -48.04 59.61 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.711 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.2 -50.78 64.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.184 0.516 . . . . 0.0 110.375 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 57.73 28.24 15.57 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 91' ' ' VAL . 79.7 t -162.71 60.66 1.04 Allowed Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.751 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.495 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.3 Cg_endo -46.42 -176.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.979 1.786 . . . . 0.0 111.144 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -118.25 130.18 55.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.425 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 t -49.53 -32.96 13.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.782 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.09 -36.12 61.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.5 m -65.38 -51.31 61.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.514 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.35 -43.6 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.447 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.515 ' CE2' HD12 ' A' ' 9' ' ' LEU . 29.2 t80 -58.85 -50.59 73.41 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.037 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.8 m -57.93 -44.78 87.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.015 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.9 -49.83 75.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.433 0.635 . . . . 0.0 110.105 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.438 ' CG2' HD22 ' A' ' 9' ' ' LEU . 7.3 mm -60.2 -40.83 84.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.933 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -52.4 -59.49 4.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.759 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.1 -45.75 90.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.5 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.38 -47.63 83.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.782 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -51.95 -47.15 64.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.782 0.801 . . . . 0.0 109.547 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.47 -39.45 90.94 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.094 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 52.2 m -59.27 -39.79 84.0 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.012 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 40.3 mt -67.26 -37.51 83.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.96 -47.9 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -65.41 -49.16 70.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -55.59 -29.84 59.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.149 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.99 18.52 55.85 Favored Glycine 0 N--CA 1.463 0.496 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.44 -44.85 64.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.521 -0.839 . . . . 0.0 111.107 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.4 t -72.8 -32.91 42.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.401 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -73.96 49.35 0.33 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.818 0.342 . . . . 0.0 110.553 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 25.0 m -74.09 -35.43 64.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.508 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -63.71 -74.01 0.11 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.509 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.453 ' O ' ' OXT' ' A' ' 119' ' ' LYS . 20.2 tptp -50.34 137.76 17.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.453 ' OXT' ' O ' ' A' ' 118' ' ' LYS . 84.1 tttt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.262 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -72.23 108.97 2.61 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.322 2.014 . . . . 0.0 110.346 179.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.1 mt -96.76 -11.84 24.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.369 -179.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.61 172.84 49.24 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 7' ' ' ASN . 80.3 p -47.07 -28.59 1.78 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.015 0.436 . . . . 0.0 110.546 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -58.41 -0.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.802 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.499 ' H ' ' C ' ' A' ' 5' ' ' SER . 1.7 t-20 -70.19 -36.53 74.69 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.132 178.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.8 tpt -57.49 -49.96 74.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.251 -179.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.92 -45.19 90.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.33 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.98 -45.53 94.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.251 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -59.06 -51.06 71.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.587 1.184 . . . . 0.0 109.939 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -58.76 -62.86 1.56 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.519 -2.128 . . . . 0.0 111.291 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.4 m -52.31 -48.62 65.3 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.736 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -59.32 -51.15 71.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 110.552 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.88 -22.09 3.5 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.289 -179.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -108.31 -4.4 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.705 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 m -99.36 -8.23 25.12 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.234 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -64.54 -48.62 74.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.607 0.718 . . . . 0.0 109.588 179.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -51.78 -27.92 13.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.46 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -89.66 147.32 23.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.472 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 23' ' ' VAL . 96.8 mt-10 -114.4 173.65 6.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.883 -179.4 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.643 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 39.3 t-80 61.82 4.94 1.2 Allowed 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -179.517 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 21' ' ' GLU . 97.5 t -127.96 131.74 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.008 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 37.1 p-10 -145.07 109.63 4.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.687 179.221 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.3 mt -81.03 92.82 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 121.347 0.594 . . . . 0.0 112.419 -178.045 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -97.04 -21.13 17.57 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.978 178.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.514 ' CG ' ' H ' ' A' ' 28' ' ' PHE . 13.4 t-20 -158.1 -174.1 4.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.207 179.237 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.514 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 65.8 m-85 -103.47 -11.66 17.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.102 0.477 . . . . 0.0 110.436 -179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.0 t -103.05 -76.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.678 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.2 m -59.5 -42.48 92.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.203 -178.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -67.6 -1.85 5.77 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.194 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 27.6 m95 -111.82 -4.19 14.69 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.369 -179.464 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.5 t -57.56 -17.4 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.592 -178.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 36' ' ' MET . 74.2 m -81.6 -19.74 41.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.265 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.504 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 74.33 -12.07 6.03 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -178.4 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.607 ' SD ' ' ND1' ' A' ' 22' ' ' HIS . 26.7 mtt -66.19 -31.8 72.85 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.711 -0.744 . . . . 0.0 110.591 179.123 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.37 -53.41 58.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.368 -179.183 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -57.06 -45.17 83.43 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.176 -178.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 1.3 m -66.77 -45.0 79.89 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.544 -0.463 . . . . 0.0 111.408 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.22 99.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.469 -178.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.15 -43.67 91.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 -179.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.7 mm -64.97 -42.36 94.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.646 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -53.65 -47.47 70.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.389 . . . . 0.0 111.334 -178.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -43.54 -33.92 1.25 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.431 0.634 . . . . 0.0 110.903 -178.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -92.35 -25.59 18.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.604 ' HB3' ' HB2' ' A' ' 49' ' ' ALA . 59.0 m-85 -126.08 101.33 28.98 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.392 -177.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -78.09 -39.01 0.51 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.7 1.6 . . . . 0.0 111.626 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -68.08 -34.8 77.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.37 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 46' ' ' PHE . . . -34.16 -65.75 0.19 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.754 -179.421 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -170.03 162.1 8.93 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.455 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.79 108.94 20.37 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 30.8 t80 -66.16 -16.29 63.84 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 -179.572 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.33 -20.78 39.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.527 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -16.03 51.48 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.747 -179.386 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.3 mt -66.25 176.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.073 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -156.16 142.01 12.83 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.056 -179.445 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -52.82 -12.79 2.12 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 122.017 1.811 . . . . 0.0 109.906 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 56' ' ' ASP . . . -86.82 -10.22 54.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.057 -179.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -110.57 45.47 1.13 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.2 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -67.13 -52.24 44.21 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' A' ' 61' ' ' ARG . 17.4 mtp180 -52.26 -46.84 65.97 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.458 0.647 . . . . 0.0 109.689 -178.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -66.81 -33.43 75.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.435 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.545 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 25.4 t-20 -61.55 -41.99 98.19 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.506 -179.823 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.501 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 63.2 m-85 -69.0 -53.99 17.57 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.098 -0.641 . . . . 0.0 109.699 179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.5 m -56.46 -43.42 79.53 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.59 -47.47 85.32 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.173 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.9 90.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.063 -179.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 42.4 m-85 -79.62 -48.37 13.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.181 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -64.48 -27.74 69.19 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.48 HG21 ' HB1' ' A' ' 49' ' ' ALA . 69.1 m -78.36 -47.4 17.75 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.249 178.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.86 -34.06 77.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.752 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 82.4 tt0 -71.47 -49.24 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -63.32 -40.28 96.89 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.803 -178.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 46' ' ' PHE . 90.2 mt -84.52 -30.98 24.7 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.83 2.2 3.68 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -177.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 98.7 m-20 46.02 34.49 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.92 179.48 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.0 t -52.32 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.487 -178.684 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.411 ' HB2' ' OE1' ' A' ' 103' ' ' GLU . . . -87.78 168.67 12.74 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.337 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -132.7 42.02 3.12 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 1.6 mt -71.16 -17.41 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.369 -178.345 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.95 137.83 51.75 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 121.122 0.487 . . . . 0.0 111.888 -178.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -108.58 135.2 50.22 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.388 178.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 87' ' ' VAL . 69.8 t -51.99 -52.22 24.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.624 -178.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.55 -45.71 77.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.292 -178.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.72 -43.27 99.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.973 0.416 . . . . 0.0 110.293 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.501 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 6.1 mtp -62.24 -42.85 99.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.376 0.608 . . . . 0.0 110.25 179.081 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 83' ' ' VAL . 68.0 t -65.02 -42.77 95.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.97 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.36 -47.48 41.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.847 0.355 . . . . 0.0 111.837 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.66 -51.18 63.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.469 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 58.9 26.23 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.39 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 90' ' ' ALA . 69.5 t -162.39 90.13 1.35 Allowed Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.602 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -73.24 -170.94 0.71 Allowed 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 121.934 1.756 . . . . 0.0 111.352 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -123.15 131.48 53.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.308 179.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.3 t -51.94 -34.14 40.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.782 -178.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -71.14 -41.77 70.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.583 179.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.6 m -63.18 -51.01 68.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.483 -179.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.44 -45.04 93.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.511 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 24.0 t80 -57.49 -50.47 72.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.085 179.753 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.3 m -57.8 -43.81 85.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.105 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -61.14 -50.6 72.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.316 0.579 . . . . 0.0 110.349 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.3 mm -60.78 -40.91 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.148 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -50.03 -63.62 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' OE1' ' HB2' ' A' ' 78' ' ' ALA . 75.8 tt0 -57.49 -44.27 84.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.798 -178.637 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.49 -47.53 83.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -52.58 -46.73 67.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.546 0.689 . . . . 0.0 109.451 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.04 -42.99 99.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.012 -178.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.539 ' OG ' ' NZ ' ' A' ' 111' ' ' LYS . 34.5 t -60.79 -41.17 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.868 179.052 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.09 -39.23 91.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.23 -46.22 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.449 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -63.01 -53.01 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.273 179.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.539 ' NZ ' ' OG ' ' A' ' 107' ' ' SER . 63.2 mttp -51.72 -28.18 14.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.333 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.51 18.18 59.1 Favored Glycine 0 N--CA 1.463 0.442 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 27.9 mt -75.14 -54.33 7.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.365 -0.917 . . . . 0.0 110.952 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.08 -43.13 85.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.539 -179.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -82.8 79.07 9.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.32 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.3 p -93.53 -8.74 40.51 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.01 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.632 ' O ' ' N ' ' A' ' 119' ' ' LYS . 61.3 mttp -142.02 144.25 33.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -58.73 66.02 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 O-C-N 123.386 0.429 . . . . 0.0 110.063 179.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.632 ' N ' ' O ' ' A' ' 117' ' ' LYS . 88.4 mttt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.433 -179.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -55.72 -32.25 83.27 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.115 1.877 . . . . 0.0 109.795 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' SER . 54.3 mt -86.33 -53.82 4.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.724 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.2 93.33 0.01 OUTLIER Glycine 0 N--CA 1.464 0.538 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.513 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 60.0 p -76.74 -67.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 110.552 -179.847 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' N ' ' OG ' ' A' ' 5' ' ' SER . 64.5 pttt -51.83 -25.8 8.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.642 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -62.32 -40.6 96.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.196 0.522 . . . . 0.0 109.787 179.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.435 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.2 tmt? -61.64 -47.97 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.357 179.56 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD22 ' CG2' ' A' ' 101' ' ' ILE . 81.5 mt -65.27 -43.69 90.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.514 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 tp -62.2 -47.28 85.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.619 -179.29 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.08 -53.91 52.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.606 1.193 . . . . 0.0 109.738 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.59 -60.61 3.18 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 112.559 -2.109 . . . . 0.0 111.274 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.9 t -52.59 -45.72 66.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.319 0.58 . . . . 0.0 110.998 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -61.14 -52.86 63.08 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.407 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.27 -17.91 0.3 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.36 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.8 mtt -113.06 -3.33 14.01 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.91 -11.16 27.11 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.179 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -67.46 -41.73 84.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.742 0.782 . . . . 0.0 109.701 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -53.08 -31.01 39.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.716 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.43 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 65.0 m-85 -107.75 106.1 16.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.033 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.595 ' C ' ' H ' ' A' ' 23' ' ' VAL . 57.0 mp0 -68.19 -172.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 -179.68 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.588 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 44.9 t-80 59.72 -0.1 0.22 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.745 0.783 . . . . 0.0 108.978 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.595 ' H ' ' C ' ' A' ' 21' ' ' GLU . 93.8 t -125.5 128.3 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.855 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -143.98 108.53 4.86 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.51 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.2 mt -79.17 97.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -111.85 -24.84 9.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.843 178.397 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' A' ' 29' ' ' SER . 18.7 t-20 -157.78 137.75 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.328 178.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 42.0 m-85 -61.42 -4.79 1.4 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.213 0.53 . . . . 0.0 110.651 -179.132 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 30' ' ' SER . 90.6 p -101.89 -74.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.522 ' N ' ' OG ' ' A' ' 29' ' ' SER . 62.0 p -58.08 -43.29 86.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.699 -177.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.1 m -72.22 1.71 7.17 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.228 -178.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.47 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 36.4 m95 -116.39 -8.59 11.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.762 -179.488 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.5 p -58.68 -18.97 35.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.232 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 36' ' ' MET . 88.8 p -86.42 -22.67 26.42 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.489 -179.342 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 79.68 -11.22 34.34 Favored Glycine 0 N--CA 1.459 0.171 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 -178.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.453 ' H ' ' C ' ' A' ' 34' ' ' SER . 30.8 mmm -61.28 -30.03 70.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.496 -0.852 . . . . 0.0 110.304 179.49 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.39 -51.07 56.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.871 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.74 -41.96 78.44 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.342 -178.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 17.7 p -75.46 -43.39 49.77 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.283 -179.642 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.559 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -60.19 -42.77 95.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.586 -178.658 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.64 -43.85 95.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.045 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.6 mm -66.29 -44.78 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.792 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.535 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 15.8 t-80 -56.2 -13.61 2.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.02 0.438 . . . . 0.0 111.386 -178.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -74.42 -39.56 62.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.464 -178.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -100.03 -15.01 18.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.85 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.52 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.6 m-85 -125.84 98.1 34.47 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.331 -178.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.23 -38.18 1.61 Allowed 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.755 1.637 . . . . 0.0 111.755 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.6 -9.6 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.803 0.811 . . . . 0.0 108.812 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.43 -75.47 0.04 OUTLIER 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 114.271 -1.331 . . . . 0.0 112.399 -179.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.535 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 16.7 p90 -171.53 165.89 6.84 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.86 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 1.2 p30 -88.43 101.93 14.4 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.478 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.407 ' HA ' HD12 ' A' ' 55' ' ' LEU . 53.2 t80 -64.97 -20.25 66.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.26 -179.325 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.24 -10.32 59.79 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.792 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 2.7 tm-20 -100.32 -11.52 20.24 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.562 -179.346 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 52' ' ' TYR . 92.8 mt -80.76 152.88 28.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.962 0.411 . . . . 0.0 111.045 -179.297 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.05 162.6 40.54 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.045 -179.21 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -75.62 -9.72 19.99 Favored 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 122.31 2.007 . . . . 0.0 109.971 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.57 -9.85 59.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.089 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -112.83 55.34 0.7 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.328 -178.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -69.42 -46.35 67.01 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -53.1 -53.04 56.23 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.761 -178.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -62.71 -36.24 82.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.829 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' OD1' ' O ' ' A' ' 35' ' ' GLY . 28.2 t-20 -62.17 -44.18 97.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.606 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.515 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 43.7 m-85 -68.8 -56.59 7.53 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.93 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.448 ' OG1' HG21 ' A' ' 83' ' ' VAL . 15.7 m -52.17 -43.05 63.93 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.731 179.506 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.439 HD21 ' CD2' ' A' ' 50' ' ' PHE . 55.4 tp -60.91 -48.88 79.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.315 -179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.08 79.67 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.205 -179.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -79.29 -49.47 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.7 m -63.47 -29.57 70.83 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.466 HG22 HD12 ' A' ' 74' ' ' LEU . 29.0 m -75.14 -51.91 12.27 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.356 178.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.19 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' ASP . 15.4 tm-20 -71.37 -52.46 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.066 0.46 . . . . 0.0 110.61 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.14 -39.17 91.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.928 -178.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 46' ' ' PHE . 96.4 mt -78.12 -47.42 18.26 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.89 8.54 8.74 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -177.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' GLU . 99.5 m-20 45.94 38.95 5.01 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.039 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.91 -162.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.616 -178.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.2 170.82 10.7 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.308 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -136.99 39.74 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.02 -18.15 64.62 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.356 -178.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.03 145.15 42.58 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.178 0.513 . . . . 0.0 112.1 -178.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -111.43 143.7 41.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.325 178.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.448 HG21 ' OG1' ' A' ' 65' ' ' THR . 67.2 t -57.83 -51.81 65.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.29 -178.538 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -55.43 -46.63 76.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.195 -178.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -63.27 -44.38 95.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.803 0.335 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 3.5 mtp -61.91 -43.91 97.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.421 0.629 . . . . 0.0 109.897 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' VAL . 70.1 t -70.06 -41.85 79.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.127 179.109 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -71.74 -48.45 46.88 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.96 -179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.88 -54.57 40.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.479 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 61.3 19.86 10.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 -177.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 91' ' ' VAL . 95.9 t -155.37 57.7 1.69 Allowed Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 113.689 -1.596 . . . . 0.0 109.998 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.8 Cg_endo -44.99 -179.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 121.895 1.73 . . . . 0.0 111.171 -179.519 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -113.96 129.18 56.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.974 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 m -48.78 -34.1 11.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.161 -178.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -73.71 -34.68 64.91 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.8 m -66.48 -51.12 60.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.614 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.6 -43.98 97.89 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.041 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 19.9 t80 -59.38 -51.41 70.05 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.309 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.3 m -56.73 -45.21 82.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.183 -179.575 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -62.15 -49.95 73.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.698 . . . . 0.0 110.068 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 9' ' ' LEU . 6.3 mm -59.63 -40.95 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.942 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -51.81 -60.29 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.445 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -59.44 -46.8 87.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.334 -179.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.8 tp -59.3 -45.48 91.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.675 -179.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -53.69 -48.49 69.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.53 0.681 . . . . 0.0 109.827 -179.418 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -60.91 -38.17 84.82 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.078 -178.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.7 m -59.61 -40.31 87.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.03 178.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.81 -36.68 80.84 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.205 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.65 -48.79 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -178.23 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 111' ' ' LYS . 12.6 pt20 -65.91 -47.97 73.0 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.51 0.671 . . . . 0.0 109.587 179.163 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 14.2 tptm -55.05 -28.88 55.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.054 -179.628 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.74 18.38 58.38 Favored Glycine 0 N--CA 1.463 0.436 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.348 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.4 mt -74.5 -43.58 55.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.226 -0.987 . . . . 0.0 110.999 178.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.87 -38.25 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.217 -179.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -98.83 89.88 4.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 0.0 110.494 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.3 p -87.39 -51.61 5.84 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.247 0.546 . . . . 0.0 111.422 -179.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -144.52 145.33 31.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.161 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -83.19 147.69 27.89 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.202 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.6 mptt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.855 -1.069 . . . . 0.0 110.053 -179.333 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.414 0 N-CA-C 109.339 -1.505 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -69.5 -29.81 24.51 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.135 1.89 . . . . 0.0 110.374 179.556 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.9 mt -103.72 -63.99 1.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.57 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.56 35.44 67.8 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -75.59 -58.97 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 111.155 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -102.51 -9.41 20.22 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.016 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -73.89 -36.33 64.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.097 179.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.442 ' SD ' ' C ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -50.57 -55.45 16.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.988 -179.517 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.67 -45.2 87.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.0 -46.11 92.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.457 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.44 -53.59 56.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.551 1.167 . . . . 0.0 109.882 179.32 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.493 ' O ' ' CE ' ' A' ' 16' ' ' MET . 87.0 t90 -54.4 -62.07 1.89 Allowed 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 112.683 -2.053 . . . . 0.0 111.067 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 m -51.71 -45.2 63.48 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.973 0.416 . . . . 0.0 110.643 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 17' ' ' THR . 59.2 ttp180 -63.02 -52.35 63.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.714 0.769 . . . . 0.0 110.233 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -44.32 -15.94 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.159 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.616 ' N ' ' SD ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -104.03 -20.86 13.71 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.683 -179.271 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.548 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.4 p -68.55 -11.21 59.62 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.205 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 19' ' ' ASN . 35.6 ptt-85 -63.6 -37.87 88.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.783 0.802 . . . . 0.0 109.462 179.253 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.44 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 18.4 t-20 -66.69 -36.36 82.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.022 -179.838 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.526 ' O ' ' O ' ' A' ' 17' ' ' THR . 70.2 m-85 -98.65 151.92 20.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.683 -179.155 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 23' ' ' VAL . 10.7 pt-20 -117.32 176.17 5.28 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.881 -179.42 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.601 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.7 OUTLIER 59.79 9.62 1.74 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.867 0.842 . . . . 0.0 108.745 -179.501 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.415 ' H ' ' C ' ' A' ' 21' ' ' GLU . 54.1 t -122.29 131.62 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.945 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 42.1 p-10 -145.7 106.02 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.621 179.638 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.2 mt -85.11 89.97 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 112.722 -178.243 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -100.7 -13.04 18.67 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.959 178.238 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.442 HD22 ' H ' ' A' ' 29' ' ' SER . 27.6 t30 -157.51 176.44 12.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.384 179.137 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 66.6 m-85 -99.48 -6.58 27.34 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.97 0.414 . . . . 0.0 110.376 -179.749 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.442 ' H ' HD22 ' A' ' 27' ' ' ASN . 18.3 m -104.24 -72.21 0.71 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -177.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 m -57.26 -43.9 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -177.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -72.93 2.33 7.08 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.175 -179.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.408 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 41.3 m95 -115.74 -10.83 11.71 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.772 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.534 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 4.8 m -62.38 -9.62 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.188 -178.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.5 t -91.16 -23.2 20.32 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -179.444 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.57 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 77.54 -15.28 7.69 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -177.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.501 ' H ' ' C ' ' A' ' 34' ' ' SER . 11.8 mmm -61.27 -28.23 69.03 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.656 -0.772 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.56 -49.12 43.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.682 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -45.18 90.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.005 -179.174 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 40' ' ' ALA . 15.4 p -68.79 -46.52 68.48 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.274 -179.509 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.613 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -64.77 -41.23 96.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.351 -178.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.36 -42.62 99.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.929 0.395 . . . . 0.0 110.964 -178.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.59 -39.55 82.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.268 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -56.84 -40.64 76.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.4 -178.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.467 ' N ' ' OH ' ' A' ' 20' ' ' TYR . 4.3 tmtt? -53.03 -36.4 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.689 -178.131 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -89.71 -36.93 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 99.2 m-85 -115.34 73.34 3.74 Favored Pre-proline 0 C--O 1.217 -0.646 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.137 -178.15 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.69 -37.44 15.85 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 121.748 1.632 . . . . 0.0 112.043 -178.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -63.99 -20.89 66.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.366 0.603 . . . . 0.0 109.4 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' PHE . . . -33.39 -77.57 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.329 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -168.14 162.28 12.9 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.444 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -77.79 93.37 4.32 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -61.01 -20.74 62.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.978 -179.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.64 -20.02 44.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.662 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -84.38 -14.59 49.03 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.791 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.8 mt -82.19 148.45 28.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 111.03 -179.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' ALA . 3.5 m-20 -125.67 147.21 57.6 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.211 -179.625 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -51.34 -10.67 0.47 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.045 1.83 . . . . 0.0 109.887 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -72.46 -44.27 62.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.662 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -88.04 59.51 5.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.58 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.534 ' NH2' ' O ' ' A' ' 33' ' ' SER . 27.8 mtp85 -70.96 -52.59 18.94 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -179.51 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -52.44 -49.17 65.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.413 0.625 . . . . 0.0 110.231 -178.416 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -60.54 -33.68 73.02 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.82 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 46.8 t30 -62.51 -41.03 98.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.339 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CZ ' ' CA ' ' A' ' 35' ' ' GLY . 52.4 m-85 -66.22 -58.71 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.63 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.504 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.9 m -51.59 -42.61 62.05 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.712 179.46 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.7 -48.18 82.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.184 -179.509 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -38.22 86.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.051 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -78.47 -48.8 14.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.074 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.8 t -63.72 -27.22 69.05 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.95 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.4 m -78.59 -45.43 21.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.354 178.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.48 80.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.752 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' ASP . 44.3 tp10 -72.41 -49.8 31.01 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.933 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.39 -41.9 94.79 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.976 -178.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.9 mt -87.75 -40.71 13.86 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -179.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.98 -0.68 12.71 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 77' ' ' CYS . 98.4 m-20 49.12 34.08 5.51 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 119.575 -0.85 . . . . 0.0 109.831 179.559 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.3 t -49.07 -163.77 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.666 -178.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.73 174.38 7.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.331 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -127.97 40.67 3.64 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.8 -26.59 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.754 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mt -114.37 142.26 46.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.228 0.537 . . . . 0.0 112.24 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -110.96 142.66 42.77 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.171 178.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.504 HG21 ' OG1' ' A' ' 65' ' ' THR . 55.5 t -56.16 -52.34 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.386 -178.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 88' ' ' ARG . 91.9 m-20 -55.93 -46.08 78.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.182 -178.274 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.77 -44.44 96.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.856 0.36 . . . . 0.0 110.174 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.4 mtp -62.68 -44.49 96.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.379 0.609 . . . . 0.0 109.436 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.38 -40.53 77.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.83 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 84' ' ' ASP . 53.0 ttp180 -72.1 -48.67 42.21 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.905 0.383 . . . . 0.0 111.985 -179.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.82 -49.81 64.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.365 -179.079 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 57.61 25.22 11.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 91' ' ' VAL . 97.0 t -158.35 59.86 1.66 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.676 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.483 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.3 Cg_endo -46.28 -176.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 121.967 1.778 . . . . 0.0 111.226 -179.617 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -117.04 130.02 56.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.311 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -49.44 -33.19 13.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.209 -178.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -75.61 -33.25 60.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.63 179.157 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.3 m -67.46 -53.57 27.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.89 -44.48 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.293 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 16.6 t80 -59.03 -50.48 73.92 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.154 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 89.2 m -58.44 -44.28 89.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.721 -179.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.49 -49.67 75.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.334 0.588 . . . . 0.0 110.052 179.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.9 mm -61.11 -41.04 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.161 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -49.46 -63.12 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.825 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -57.87 -44.14 86.44 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.904 -178.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.89 -44.72 96.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -53.63 -47.74 70.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.697 0.76 . . . . 0.0 109.618 -179.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -60.48 -42.75 96.89 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.847 -178.23 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.5 p -58.9 -38.67 79.43 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.805 179.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.4 -41.01 96.88 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.921 179.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.81 -46.46 96.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.245 -178.421 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -51.52 64.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.299 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -53.9 -24.44 16.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.446 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.6 19.82 65.25 Favored Glycine 0 N--CA 1.461 0.314 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.0 mt -75.03 -55.02 6.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.61 -0.795 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.71 -41.28 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.784 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -80.93 75.91 7.89 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.417 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -88.98 -12.68 40.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.273 -179.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -67.38 -72.84 0.15 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.512 -179.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -53.19 139.7 28.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.13 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 65.5 mttp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.458 -179.419 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -54.5 -26.15 43.82 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.097 1.865 . . . . 0.0 109.75 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.35 -17.7 64.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.4 59.24 0.59 Allowed Glycine 0 N--CA 1.465 0.604 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.488 ' OG ' ' N ' ' A' ' 6' ' ' LYS . 33.6 p -66.98 -61.45 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.556 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.488 ' N ' ' OG ' ' A' ' 5' ' ' SER . 67.6 mttm -45.67 -35.86 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.688 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -64.53 -38.7 91.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.867 179.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.0 OUTLIER -60.25 -48.53 81.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.342 -179.698 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 98' ' ' TYR . 86.5 mt -64.29 -43.07 95.88 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.408 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.1 tp -60.47 -48.28 82.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.493 -179.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.69 -55.0 40.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.568 1.175 . . . . 0.0 110.101 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -53.91 -62.24 1.78 Allowed 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.421 -2.172 . . . . 0.0 111.366 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -50.86 -36.09 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.413 0.625 . . . . 0.0 111.029 179.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' C ' ' H ' ' A' ' 16' ' ' MET . 35.2 ttm180 -70.83 -48.16 55.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.736 0.779 . . . . 0.0 110.563 179.296 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.533 ' O ' ' NH1' ' A' ' 18' ' ' ARG . . . -47.52 -13.43 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.477 -179.062 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.446 ' H ' ' C ' ' A' ' 14' ' ' ARG . 13.7 ptp -121.79 -0.43 9.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.045 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.516 ' OG1' HD12 ' A' ' 25' ' ' ILE . 85.8 m -85.4 -13.46 49.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.217 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.533 ' NH1' ' O ' ' A' ' 15' ' ' ALA . 79.2 mtm-85 -64.81 -34.34 78.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.411 0.624 . . . . 0.0 109.922 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.74 -37.72 87.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.38 -179.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.432 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 54.1 m-85 -104.52 94.46 5.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.597 -179.306 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' C ' ' H ' ' A' ' 23' ' ' VAL . 97.0 mt-10 -68.0 -172.48 0.3 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.494 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.3 t60 61.4 0.17 0.42 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.621 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.578 ' H ' ' C ' ' A' ' 21' ' ' GLU . 72.0 t -124.05 129.22 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.345 -179.7 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -137.04 107.33 6.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.887 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.516 HD12 ' OG1' ' A' ' 17' ' ' THR . 91.0 mt -85.09 87.46 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.412 0.625 . . . . 0.0 112.182 -178.317 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -94.0 -23.69 17.93 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.084 178.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -147.33 -175.7 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.819 -1.082 . . . . 0.0 108.214 178.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 68.3 m-85 -105.1 -7.31 19.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.072 0.463 . . . . 0.0 110.318 -179.505 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.467 ' OG ' ' N ' ' A' ' 30' ' ' SER . 94.6 p -106.22 -68.6 0.87 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -177.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.467 ' N ' ' OG ' ' A' ' 29' ' ' SER . 77.9 p -59.56 -45.21 92.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.541 -177.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.8 m -74.16 6.19 3.73 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.315 -178.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.42 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 39.8 m95 -116.33 -8.46 11.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.714 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.5 m -55.52 -39.07 70.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.228 -179.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -64.12 -26.61 68.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.49 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 81.15 -10.94 45.83 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 108.774 -1.73 . . . . 0.0 108.774 -178.064 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.421 ' H ' ' C ' ' A' ' 34' ' ' SER . 48.4 mmm -62.23 -27.23 68.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.605 -0.797 . . . . 0.0 110.282 179.273 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.08 -50.27 56.09 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.599 -179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.22 -44.99 88.45 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.061 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 4.6 m -66.55 -47.23 73.51 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.044 -179.678 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -61.5 -42.08 98.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.409 -178.401 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD1' ' SD ' ' A' ' 16' ' ' MET . 53.6 tp -61.95 -43.0 99.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -178.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.2 mm -66.93 -42.76 89.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.542 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 32.8 t-80 -56.19 -12.67 1.64 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.275 -178.494 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -79.33 -38.03 36.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.633 -179.588 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.4 m-85 -82.57 -41.95 18.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.972 -178.251 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.534 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 20.0 m-85 -122.77 74.91 46.59 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.436 -178.135 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.0 Cg_endo -46.2 -34.78 14.14 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.906 1.737 . . . . 0.0 111.423 -179.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -64.83 -4.78 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.568 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -52.96 -70.57 0.09 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.612 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 5.3 p90 -169.92 164.95 9.7 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.614 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -82.85 94.76 7.75 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -61.87 -21.96 65.13 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 120.967 0.413 . . . . 0.0 111.169 -179.001 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.53 -14.39 58.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.66 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -92.21 -14.3 29.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.716 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.4 mt -84.33 151.58 24.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 110.95 -179.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.73 162.37 35.05 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.398 -179.35 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -74.82 -12.39 21.91 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 122.197 1.932 . . . . 0.0 110.019 179.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.78 -44.87 72.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.305 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -87.7 68.85 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.432 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -73.51 -46.07 50.09 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -51.81 -47.46 64.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.144 0.497 . . . . 0.0 110.542 -178.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -66.4 -36.71 83.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.756 179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.522 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 18.6 t-20 -61.63 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.144 0.497 . . . . 0.0 110.627 -179.378 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.576 ' HB2' HG13 ' A' ' 83' ' ' VAL . 48.2 m-85 -68.32 -55.18 12.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.707 179.274 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.7 m -52.64 -42.64 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.387 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.0 tp -60.11 -49.89 75.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.007 -179.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.61 -38.17 77.44 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.876 -178.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -80.5 -49.94 10.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.041 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.9 p -62.16 -31.1 71.56 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.782 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.9 m -76.0 -48.73 19.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.355 178.43 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HB1' ' SG ' ' A' ' 77' ' ' CYS . . . -64.47 -32.74 74.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.994 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' A' ' 76' ' ' ASP . 84.7 tt0 -70.47 -51.62 27.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.058 0.456 . . . . 0.0 110.62 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.44 -38.98 82.11 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.829 -178.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.418 HD13 ' CG ' ' A' ' 46' ' ' PHE . 85.7 mt -77.41 -49.06 15.65 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 -178.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.19 8.7 9.18 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' A' ' 72' ' ' GLU . 98.8 m-20 47.4 40.14 10.38 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.034 179.305 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.542 ' SG ' ' CD1' ' A' ' 104' ' ' LEU . 62.3 m -48.0 -169.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.472 -178.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.72 170.9 13.73 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.33 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -126.64 35.39 4.64 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.1 -26.67 66.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.341 -178.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.94 145.94 37.47 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.284 0.564 . . . . 0.0 112.079 -178.572 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -116.41 135.68 53.64 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.3 179.09 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' A' ' 64' ' ' PHE . 70.5 t -52.14 -53.71 17.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.529 -178.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.64 -45.08 73.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.004 -178.505 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.84 -45.4 94.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.905 0.383 . . . . 0.0 110.087 -179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.409 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 13.9 mtp -61.85 -45.69 92.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.325 0.583 . . . . 0.0 109.941 179.123 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.51 -42.21 86.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.841 179.225 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -71.24 -48.6 50.22 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.611 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 91.4 mt -67.55 -49.27 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.275 -179.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 56.69 29.91 16.62 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -177.353 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 91' ' ' VAL . 78.2 t -162.89 61.41 1.1 Allowed Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 113.582 -1.645 . . . . 0.0 109.931 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.4 Cg_endo -45.8 -177.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 121.871 1.714 . . . . 0.0 111.229 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 96' ' ' CYS . 27.7 t0 -120.61 131.59 54.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.446 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.7 m -45.97 -32.71 2.89 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.041 -178.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.638 ' O ' HG22 ' A' ' 99' ' ' THR . 11.6 ptmm? -79.49 -27.81 41.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.338 179.463 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 93' ' ' ASP . 9.7 m -72.34 -41.64 66.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.451 0.643 . . . . 0.0 110.537 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 57.4 t -76.73 -43.09 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.107 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 22.0 t80 -62.07 -52.73 62.73 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.577 -178.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 95' ' ' LYS . 14.9 t -59.19 -42.2 90.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.3 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' N ' HG23 ' A' ' 99' ' ' THR . 62.5 t80 -62.53 -50.9 69.52 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.488 0.661 . . . . 0.0 110.079 179.091 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.0 mm -60.04 -37.5 72.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.057 179.754 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -53.38 -59.22 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.691 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -59.44 -46.85 87.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.498 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.542 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 14.1 tp -61.39 -44.51 97.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.705 -179.86 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' ILE . 91.7 t80 -53.82 -48.35 69.98 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.49 0.662 . . . . 0.0 109.678 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -61.02 -38.76 87.24 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.937 -178.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 t -59.18 -40.51 85.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.306 -0.557 . . . . 0.0 109.636 178.75 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.6 mt -67.75 -38.11 83.04 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.075 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -62.69 -49.09 85.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.929 -177.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -64.15 -43.73 94.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.327 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -61.88 -25.78 67.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.37 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.74 20.07 58.71 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.681 ' O ' HG23 ' A' ' 116' ' ' THR . 18.1 mt -75.98 -38.52 57.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.367 -0.916 . . . . 0.0 110.941 179.071 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 t -66.65 -32.39 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.541 -178.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -82.87 49.11 1.44 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.033 0.444 . . . . 0.0 110.724 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 113' ' ' LEU . 3.2 p -93.35 -0.75 56.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.232 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -78.28 -72.85 0.35 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.501 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -51.86 157.62 1.19 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.721 -179.743 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -71.96 138.17 30.72 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.47 2.113 . . . . 0.0 110.335 179.357 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.4 mt -68.9 -45.65 70.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.764 -179.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.15 12.29 84.22 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -67.48 -62.25 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.016 0.436 . . . . 0.0 110.611 -179.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -47.95 -34.23 8.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.611 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -63.08 -40.64 98.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.837 179.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.6 tmt? -59.51 -46.04 89.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.467 HD12 ' CE2' ' A' ' 98' ' ' TYR . 96.6 mt -62.69 -45.16 94.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.27 -47.31 86.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.509 -179.182 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -59.15 -53.43 58.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.44 1.114 . . . . 0.0 110.216 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 83.4 t90 -52.95 -59.74 4.15 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 112.541 -2.118 . . . . 0.0 111.111 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' THR . 5.1 t -54.2 -43.77 71.04 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.943 179.164 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -60.0 -35.03 74.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.243 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 12' ' ' TRP . . . -65.87 -29.03 69.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.774 -178.57 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.41 ' H ' ' HG2' ' A' ' 16' ' ' MET . 12.4 ptp -116.08 -2.55 12.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -178.188 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' CYS . 61.1 m -99.31 -13.13 19.78 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.971 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' TYR . 72.0 ttt180 -68.0 -45.75 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 109.674 179.155 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -40.71 -25.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.871 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ARG . 64.1 m-85 -104.36 101.32 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.758 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.583 ' C ' ' H ' ' A' ' 23' ' ' VAL . 18.3 pt-20 -66.43 -175.94 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.71 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.639 ' NE2' ' SD ' ' A' ' 36' ' ' MET . 0.9 OUTLIER 61.49 -0.76 0.36 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.729 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.583 ' H ' ' C ' ' A' ' 21' ' ' GLU . 70.0 t -125.66 128.82 72.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.47 -179.797 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 23' ' ' VAL . 99.6 m-20 -141.83 110.47 6.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.879 179.723 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.5 mt -76.96 104.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.521 0.676 . . . . 0.0 112.723 -178.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.412 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 7.7 tt0 -104.5 -31.11 9.62 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.874 178.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' A' ' 26' ' ' GLN . 93.3 m-20 -151.15 -172.22 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.234 178.683 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 68.3 m-85 -101.81 -4.96 25.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.167 0.508 . . . . 0.0 110.393 -179.572 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -109.63 -65.08 1.18 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -60.78 -45.68 93.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.462 -178.319 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -74.86 4.98 5.55 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.859 -178.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.405 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 35.9 m95 -115.73 -7.8 12.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.748 -179.435 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.5 p -54.87 -33.63 62.08 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.345 -178.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 36' ' ' MET . 78.3 p -66.79 -26.26 66.87 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.403 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.573 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 75.67 -12.68 7.78 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 -178.047 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.639 ' SD ' ' NE2' ' A' ' 22' ' ' HIS . 86.7 mtp -68.82 -20.43 64.31 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.59 -0.805 . . . . 0.0 110.181 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.55 -49.82 56.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.261 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -40.54 71.73 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.789 -179.514 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.591 ' SG ' ' ND2' ' A' ' 63' ' ' ASN . 17.0 m -70.22 -44.39 68.71 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.084 -179.103 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.82 99.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.501 -178.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.22 -41.22 98.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.503 ' C ' ' H ' ' A' ' 44' ' ' LYS . 3.2 mm -69.13 -43.74 81.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.584 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 16.2 t-80 -50.39 -8.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.4 -178.102 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -87.32 -33.41 19.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.987 -179.837 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -87.97 -32.15 19.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.854 -178.261 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.515 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 13.7 m-85 -136.72 67.49 58.16 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.35 -178.321 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.1 Cg_endo -45.29 -34.35 9.95 Favored 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 121.983 1.789 . . . . 0.0 111.562 -179.267 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.17 -2.44 2.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -60.19 -66.35 0.54 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.854 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.433 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 5.7 p90 -167.59 162.01 13.98 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.59 179.627 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -82.88 93.19 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.28 -23.8 50.74 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 -179.229 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.28 -14.27 59.13 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.621 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -92.13 -17.86 24.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.804 -179.286 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.33 151.88 26.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.071 0.462 . . . . 0.0 111.142 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.95 164.1 24.21 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.353 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -74.87 -13.54 21.7 Favored 'Trans proline' 0 N--CA 1.491 1.335 0 C-N-CA 122.085 1.857 . . . . 0.0 110.136 179.258 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.73 -46.44 65.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.279 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -85.26 50.34 1.93 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.194 -179.082 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -62.94 -42.58 99.85 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -51.86 -49.33 63.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.432 0.634 . . . . 0.0 110.507 -178.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -66.1 -34.41 77.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.687 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.591 ' ND2' ' SG ' ' A' ' 39' ' ' CYS . 5.3 t30 -61.57 -42.74 99.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.528 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 39.8 m-85 -65.73 -57.75 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.909 -0.716 . . . . 0.0 109.368 179.344 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.443 ' OG1' HG21 ' A' ' 83' ' ' VAL . 13.9 m -52.37 -43.31 64.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.476 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.15 -50.67 73.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.129 -179.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.75 -39.06 76.5 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.944 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -79.57 -47.03 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.054 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 t -61.12 -29.19 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.798 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.9 m -80.1 -46.55 16.28 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.154 178.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.44 83.82 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 76' ' ' ASP . 85.2 tt0 -72.32 -50.93 23.2 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.697 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -58.02 -40.7 81.45 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.691 -0.803 . . . . 0.0 110.769 -178.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD13 ' CG ' ' A' ' 46' ' ' PHE . 99.5 mt -81.05 -51.69 8.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.93 4.86 15.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 72' ' ' GLU . 72.2 m-20 47.9 40.04 12.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 119.824 -0.751 . . . . 0.0 110.048 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.3 t -47.76 -171.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.646 -179.013 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.57 171.87 12.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.326 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -125.22 69.51 1.14 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 mt -102.44 -26.33 13.3 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.629 -178.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -109.09 142.26 40.08 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 121.299 0.571 . . . . 0.0 112.035 -178.423 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -116.98 128.39 55.14 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.02 178.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.443 HG21 ' OG1' ' A' ' 65' ' ' THR . 69.9 t -44.68 -55.84 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.761 -179.065 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 88' ' ' ARG . 96.8 m-20 -53.48 -46.41 69.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.396 -178.269 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -62.38 -45.03 94.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.01 0.433 . . . . 0.0 110.117 -179.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 14.8 mtp -61.04 -46.23 91.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.46 0.648 . . . . 0.0 110.004 179.575 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.31 -41.94 78.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.093 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HG3' HH11 ' A' ' 88' ' ' ARG . 54.4 ttm-85 -69.56 -47.29 64.13 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.773 0.321 . . . . 0.0 111.794 -179.311 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 87.2 mt -64.31 -52.14 59.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.078 0.466 . . . . 0.0 110.337 -179.411 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 64.14 24.76 13.54 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -177.152 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 91' ' ' VAL . 73.6 t -162.49 59.88 0.98 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 113.822 -1.535 . . . . 0.0 109.644 -179.638 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.479 ' O ' ' O ' ' A' ' 91' ' ' VAL . 3.1 Cg_exo -43.83 175.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 121.909 1.739 . . . . 0.0 111.339 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.463 ' O ' ' SG ' ' A' ' 96' ' ' CYS . 91.4 m-20 -111.05 126.21 54.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.228 179.599 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.3 p -50.85 -31.94 18.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.09 -178.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -69.11 -42.43 76.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.37 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.628 ' SG ' ' N ' ' A' ' 97' ' ' VAL . 2.4 p -65.78 -46.74 77.61 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.783 -179.25 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.628 ' N ' ' SG ' ' A' ' 96' ' ' CYS . 91.1 t -63.12 -46.36 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.671 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CE2' HD12 ' A' ' 9' ' ' LEU . 21.1 t80 -58.67 -50.21 74.7 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.981 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 m -58.42 -42.7 87.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.986 -179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -62.55 -52.01 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.445 0.641 . . . . 0.0 110.446 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' TYR . 27.6 mm -59.36 -39.83 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.201 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -52.98 -59.18 4.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.741 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -60.36 -47.86 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.591 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.15 -45.34 93.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.767 -179.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' ILE . 84.0 t80 -54.32 -48.36 71.43 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.667 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -60.15 -43.2 95.93 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.777 -1.102 . . . . 0.0 111.106 -178.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.8 m -56.44 -41.6 76.7 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.738 178.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.99 -39.79 94.93 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.34 -47.03 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.438 -178.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -45.35 93.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -65.86 -15.23 62.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.332 -179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.61 23.53 76.63 Favored Glycine 0 N--CA 1.463 0.497 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.22 -49.43 27.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.001 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 115' ' ' LYS . 2.5 t -51.34 -67.07 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.149 -178.546 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 114' ' ' VAL . 34.6 mtmm -65.12 83.01 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.6 m -72.42 -58.81 3.09 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.303 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -126.86 104.45 8.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.202 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -72.5 130.8 41.5 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.468 -179.495 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.411 -1.475 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -70.6 -19.65 31.87 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.327 2.018 . . . . 0.0 110.071 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.89 -17.19 60.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.844 -179.509 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.42 163.9 37.97 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.49 ' C ' ' H ' ' A' ' 7' ' ' ASN . 79.4 p -45.22 -36.56 3.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.914 0.388 . . . . 0.0 110.409 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -53.89 -6.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.692 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.49 ' H ' ' C ' ' A' ' 5' ' ' SER . 55.8 t-20 -68.11 -39.44 82.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.982 179.401 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 tpt -56.32 -48.11 77.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.423 -179.688 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.97 -46.2 85.67 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.431 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.99 -46.59 88.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.671 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 37.3 tt0 -57.65 -46.85 83.66 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.563 1.173 . . . . 0.0 109.913 179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -67.31 -65.04 0.74 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.326 -2.215 . . . . 0.0 111.159 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 m -50.83 -50.66 56.09 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -59.99 -48.81 80.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.501 -179.445 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 11' ' ' GLU . . . -55.06 -38.48 68.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.628 -179.002 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.469 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.2 mpp? -89.09 -0.73 57.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.687 -179.483 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 17' ' ' THR . 87.4 m -103.81 -5.77 22.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.325 -179.474 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -65.72 -46.21 79.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.715 0.769 . . . . 0.0 109.86 178.414 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -51.33 -30.0 17.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.995 179.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 40' ' ' ALA . 64.6 m-85 -97.43 99.43 10.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.115 -179.453 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.58 ' C ' ' H ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.96 -177.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.407 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.685 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 19.2 t-80 62.38 -1.02 0.45 Allowed 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.867 0.842 . . . . 0.0 108.796 -179.589 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.58 ' H ' ' C ' ' A' ' 21' ' ' GLU . 64.6 t -128.53 131.39 68.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.9 -179.657 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -146.82 110.63 4.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.716 179.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -82.96 94.83 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -177.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -93.36 -24.78 17.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.975 178.252 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.422 ' H ' ' HB3' ' A' ' 31' ' ' SER . 34.2 m120 -151.73 -172.07 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.24 178.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.409 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 60.1 m-85 -104.61 -11.86 16.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.098 0.475 . . . . 0.0 110.472 -179.515 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 p -104.69 -71.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.492 -0.777 . . . . 0.0 112.778 -178.121 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -61.17 -42.63 98.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.196 -178.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB3' ' H ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -70.7 0.14 7.63 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.821 -178.626 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.409 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.9 m95 -113.09 -5.05 13.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.653 -179.575 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.434 ' O ' ' NH2' ' A' ' 60' ' ' ARG . 70.9 m -63.33 -4.76 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.449 -178.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 36' ' ' MET . 4.7 t -91.91 -24.47 19.29 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.721 -179.223 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.535 ' O ' ' ND2' ' A' ' 63' ' ' ASN . . . 79.31 -16.18 10.39 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 -177.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.488 ' H ' ' C ' ' A' ' 34' ' ' SER . 36.3 mmm -62.61 -31.07 71.84 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.535 -0.833 . . . . 0.0 110.382 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -52.07 62.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.994 -178.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -58.17 -45.56 87.29 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.105 -178.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.491 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 8.9 m -68.32 -47.05 68.56 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.289 -179.265 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' O ' ' CE2' ' A' ' 20' ' ' TYR . . . -62.17 -41.86 98.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.579 -177.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.09 -45.19 94.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.893 0.378 . . . . 0.0 110.767 -178.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' C ' ' H ' ' A' ' 44' ' ' LYS . 6.3 mm -66.46 -44.23 90.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.887 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 29.5 t-80 -55.38 -6.61 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.403 -178.038 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 42' ' ' ILE . 6.0 tmtt? -84.05 -35.04 24.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.341 -179.443 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.14 -19.31 17.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.674 -178.619 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -128.42 98.1 26.68 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.319 -178.44 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.484 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.3 Cg_exo -74.53 -37.3 2.45 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.826 1.684 . . . . 0.0 111.721 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 21.4 mp0 -70.75 2.82 3.72 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -61.89 -77.55 0.05 OUTLIER 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.04 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.537 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 8.0 p90 -165.56 159.35 16.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.657 179.277 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -81.04 94.37 6.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -62.16 -22.06 65.57 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.203 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.32 -13.05 59.89 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.673 -179.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -96.31 -11.43 25.91 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.749 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -84.23 152.17 24.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.943 0.401 . . . . 0.0 111.105 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -123.92 164.18 30.85 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.436 -179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -74.65 -9.11 21.09 Favored 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.308 2.005 . . . . 0.0 110.048 179.165 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.25 62.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.162 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -90.8 53.3 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.538 -178.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 33' ' ' SER . 57.3 mtp180 -64.33 -45.18 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 179.687 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -50.66 -48.42 58.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.191 0.52 . . . . 0.0 110.387 -178.492 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -65.85 -34.6 78.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.692 179.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 24.9 t30 -61.25 -42.49 98.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.53 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 56.1 m-85 -67.53 -55.29 14.09 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.389 179.482 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.457 ' OG1' HG21 ' A' ' 83' ' ' VAL . 16.7 m -54.15 -41.69 68.72 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.31 -49.52 76.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . . . -60.24 -38.65 84.11 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.96 -179.035 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -79.53 -48.41 13.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.002 -179.673 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.4 t -65.67 -28.04 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.947 -179.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.7 m -79.14 -48.09 14.92 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.144 178.624 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.45 78.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.089 -179.599 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 76' ' ' ASP . 86.2 tt0 -74.78 -46.61 35.81 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 110.683 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -59.13 -42.86 91.63 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.702 -178.644 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.6 mt -84.33 -44.26 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.87 2.49 17.05 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -177.274 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 72' ' ' GLU . 91.5 m-20 50.11 31.72 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.881 179.506 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' ASP . 22.7 p -49.21 -165.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.619 -178.879 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.64 174.98 7.07 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.274 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -131.31 40.14 3.46 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.44 -26.65 68.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.53 -178.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mt -112.35 145.75 39.51 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 121.357 0.599 . . . . 0.0 112.13 -178.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -114.23 140.95 48.15 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.117 178.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG21 ' OG1' ' A' ' 65' ' ' THR . 52.9 t -58.0 -52.3 59.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.381 -178.657 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -53.93 -46.03 71.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.241 -178.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.65 -43.48 98.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.903 0.383 . . . . 0.0 110.19 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.53 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 4.5 mtp -60.95 -43.52 98.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.382 0.611 . . . . 0.0 109.68 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 83' ' ' VAL . 72.8 t -64.27 -42.98 97.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.062 179.51 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -73.41 -50.2 23.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 111.712 -179.346 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 20.7 mt -55.32 -61.74 2.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.53 -178.874 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 64.74 21.99 12.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -176.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 91' ' ' VAL . 77.8 t -160.03 59.9 1.36 Allowed Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.695 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.49 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.5 Cg_endo -44.06 176.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.489 1.264 0 C-N-CA 121.989 1.792 . . . . 0.0 111.366 -179.578 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -112.41 128.16 56.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.368 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -49.52 -32.92 13.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.979 -178.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -73.85 -35.82 64.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.417 179.036 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.5 m -66.05 -52.12 51.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.629 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.38 -44.53 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 21.4 t80 -59.02 -51.35 70.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.176 -179.736 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.2 m -58.08 -43.49 87.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.232 -179.287 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.51 -50.83 71.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.489 0.661 . . . . 0.0 110.308 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 105' ' ' TYR . 26.2 mm -61.42 -40.93 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.207 179.792 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -50.51 -61.18 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.98 -45.03 91.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.645 -179.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.47 -43.48 98.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.84 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.3 t80 -53.67 -47.06 70.77 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.647 0.737 . . . . 0.0 109.757 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -60.18 -41.6 93.25 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.924 -179.01 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 t -59.22 -42.79 91.81 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.846 178.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.447 ' CB ' HG23 ' A' ' 114' ' ' VAL . 94.2 mt -62.01 -38.76 89.83 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.97 -46.75 95.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.462 -178.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.21 -49.74 70.8 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.376 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -58.8 -19.64 42.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.226 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.53 77.81 Favored Glycine 0 N--CA 1.465 0.601 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.656 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.94 -43.35 58.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.422 -0.889 . . . . 0.0 111.185 179.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.447 HG23 ' CB ' ' A' ' 108' ' ' LEU . 81.3 t -47.89 -68.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.419 -178.089 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -80.23 117.85 21.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.811 0.338 . . . . 0.0 110.313 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.5 p -86.1 -58.77 2.51 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.261 -179.56 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -98.28 178.5 5.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.129 -179.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -148.81 114.21 5.58 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.184 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 54.9 tttp . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.468 -179.723 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -70.86 -55.65 0.14 Allowed 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.247 1.965 . . . . 0.0 110.126 179.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -88.24 -5.86 58.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.45 -179.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.89 58.75 3.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -60.5 -44.56 95.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.903 0.383 . . . . 0.0 110.947 -179.674 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.56 0.98 47.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.664 -179.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.18 -39.77 95.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.787 179.471 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.7 tpt -59.16 -46.91 87.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.322 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.455 HD12 ' CE2' ' A' ' 98' ' ' TYR . 94.1 mt -63.28 -43.71 97.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.77 -47.51 85.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.334 -179.554 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.1 -54.52 46.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.58 1.181 . . . . 0.0 110.144 179.505 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.504 ' O ' ' CE ' ' A' ' 16' ' ' MET . 84.6 t90 -53.33 -61.95 1.97 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 112.638 -2.074 . . . . 0.0 111.344 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 14' ' ' ARG . 14.1 p -52.58 -43.81 65.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 110.985 179.62 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.605 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 69.0 ttp85 -63.2 -47.4 82.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.977 0.894 . . . . 0.0 110.154 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' C ' ' SD ' ' A' ' 16' ' ' MET . . . -54.09 -10.77 0.38 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.138 -179.366 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.2 mpp? -112.98 1.88 15.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.616 -179.415 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 14' ' ' ARG . 16.7 p -95.12 -8.68 35.77 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -64.83 -41.4 95.78 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 109.692 178.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.41 -36.45 82.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.026 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HH ' ' CG ' ' A' ' 43' ' ' HIS . 97.0 m-85 -94.29 152.82 18.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.625 -179.541 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' A' ' 23' ' ' VAL . 45.8 mt-10 -118.75 172.89 7.2 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.741 -179.291 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 3.6 t60 60.43 4.63 0.73 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.533 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.503 ' H ' ' C ' ' A' ' 21' ' ' GLU . 74.0 t -123.95 128.19 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.035 -179.802 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 23.8 p-10 -147.15 109.64 4.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.631 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.9 mt -87.29 87.68 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.57 0.7 . . . . 0.0 112.329 -178.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -93.64 -23.51 18.24 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.123 178.579 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -142.19 179.6 6.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.042 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.433 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 58.1 m-85 -105.01 -12.16 16.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.007 0.432 . . . . 0.0 110.414 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -106.93 -69.92 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.686 -177.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.0 m -61.84 -43.11 99.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.383 -178.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.78 1.04 7.52 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.774 -178.495 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.433 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 30.8 m95 -112.84 -3.85 14.09 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.571 -179.386 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -54.22 -41.35 68.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.181 -178.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -63.5 -25.19 68.14 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.63 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 75.48 -9.29 15.35 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 108.686 -1.765 . . . . 0.0 108.686 -177.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.503 ' H ' ' C ' ' A' ' 34' ' ' SER . 4.0 mmt -62.83 -20.86 65.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.622 -0.789 . . . . 0.0 110.331 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.91 -48.18 32.64 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.522 -179.698 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.32 -43.42 83.28 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.871 -179.397 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 5.5 m -71.76 -45.8 60.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.955 0.407 . . . . 0.0 111.045 -179.255 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.75 95.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.34 -178.21 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.62 -44.21 91.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.0 mm -65.49 -44.12 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.688 179.501 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.441 ' CG ' ' HH ' ' A' ' 20' ' ' TYR . 39.2 t-80 -59.79 -8.68 2.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 111.478 -178.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 44' ' ' LYS . 3.6 tmtt? -75.54 -41.05 55.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.56 0.695 . . . . 0.0 111.142 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -99.97 -15.0 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.88 -177.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.48 ' CD1' HD13 ' A' ' 74' ' ' LEU . 95.8 m-85 -124.0 97.64 40.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.279 -178.433 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' C ' ' H ' ' A' ' 49' ' ' ALA . 2.9 Cg_endo -75.56 -40.55 0.75 Allowed 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.787 1.658 . . . . 0.0 111.815 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.78 -2.69 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -58.4 -78.19 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.046 -179.491 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.434 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 9.2 p90 -168.61 162.83 12.11 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.575 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 54' ' ' GLU . 7.8 t0 -84.44 96.44 9.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.727 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.513 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 22.9 t80 -64.94 -20.17 66.33 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.171 -179.329 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.5 -9.71 59.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.59 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 2.0 mm-40 -97.14 -12.56 22.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 -179.267 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.4 -176.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.959 0.409 . . . . 0.0 111.206 -178.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.72 171.97 6.74 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.054 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -75.46 -17.11 18.83 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.087 1.858 . . . . 0.0 110.304 179.035 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.03 -3.82 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.032 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -108.88 36.55 2.83 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.018 -178.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -64.87 -56.67 11.99 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.261 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -51.64 -45.66 63.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.465 0.65 . . . . 0.0 110.182 -178.496 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -66.49 -34.6 78.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.501 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 28.2 t-20 -61.05 -42.71 98.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.621 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 39.9 m-85 -69.07 -53.63 19.34 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.867 179.502 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.402 ' OG1' HG21 ' A' ' 83' ' ' VAL . 14.9 m -56.22 -42.65 77.6 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.384 -0.527 . . . . 0.0 109.725 179.629 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.1 tp -60.46 -50.53 73.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.176 -179.373 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.09 -36.36 70.51 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 120.149 -0.62 . . . . 0.0 109.986 -178.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 43.3 m-85 -81.75 -49.87 9.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.017 179.73 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.4 m -61.46 -32.59 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.823 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -77.75 -47.71 18.37 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.277 178.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.84 77.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.782 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 76' ' ' ASP . 39.1 tp10 -71.71 -49.51 38.72 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.626 -179.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -59.06 -41.06 87.04 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.755 -179.002 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 46' ' ' PHE . 97.4 mt -77.65 -48.61 16.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -178.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.477 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -121.81 8.0 9.94 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 72' ' ' GLU . 30.5 t70 47.24 37.19 5.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.978 179.297 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 75' ' ' ALA . 84.1 m -48.85 -166.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.122 -0.945 . . . . 0.0 112.498 -179.035 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.8 169.44 15.17 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.267 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -131.7 33.91 3.95 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.021 0.438 . . . . 0.0 110.055 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' A' ' 80' ' ' LEU . 7.4 mt -65.32 -22.5 66.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.335 -178.312 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -110.53 147.63 33.76 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.227 0.537 . . . . 0.0 112.217 -178.42 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -116.42 140.71 49.05 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.474 179.093 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.402 HG21 ' OG1' ' A' ' 65' ' ' THR . 77.2 t -57.94 -51.96 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.393 -178.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -55.09 -45.39 75.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.009 -178.489 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -57.74 -46.22 84.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.206 -179.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.621 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 3.2 mtm -61.21 -45.76 93.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.409 0.623 . . . . 0.0 110.141 178.595 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.75 -42.01 91.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.635 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HG3' HH11 ' A' ' 88' ' ' ARG . 40.0 ttm-85 -73.66 -50.26 21.86 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 120.732 0.301 . . . . 0.0 111.621 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.3 mt -68.0 -48.18 66.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.193 0.52 . . . . 0.0 110.007 -178.504 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 56.21 31.51 18.54 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 -177.376 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 91' ' ' VAL . 79.5 t -161.84 62.39 1.42 Allowed Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 113.77 -1.559 . . . . 0.0 109.749 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.469 ' O ' ' O ' ' A' ' 91' ' ' VAL . 2.7 Cg_endo -45.18 177.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 121.951 1.767 . . . . 0.0 111.172 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -113.24 128.98 56.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.247 179.425 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.0 p -49.05 -34.2 13.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.056 -178.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -73.63 -35.37 65.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.654 179.084 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.1 m -65.99 -51.05 61.88 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.648 -179.057 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.87 -44.54 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.603 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 20.3 t80 -59.09 -51.58 69.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.168 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.1 m -57.97 -44.95 87.38 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.241 -179.595 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.08 -50.06 73.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.327 0.584 . . . . 0.0 110.185 179.41 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.4 mm -59.95 -40.24 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 114.979 -1.009 . . . . 0.0 108.99 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -50.87 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.72 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -57.07 -45.77 83.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.62 -179.049 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.6 tp -59.29 -46.06 89.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.888 -179.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -52.87 -48.31 67.21 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.724 -179.287 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.9 -39.22 84.63 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.428 -178.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 t -61.14 -41.32 96.53 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.918 178.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.0 mt -67.04 -36.49 82.19 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.068 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.04 -49.48 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.674 -178.068 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -65.57 -47.07 77.04 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.178 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -56.39 -30.25 62.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.115 -179.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.26 19.29 55.64 Favored Glycine 0 N--CA 1.463 0.499 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.077 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.7 mt -77.15 -36.14 55.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.451 -0.875 . . . . 0.0 110.846 179.223 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.74 -36.17 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.24 -179.034 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -107.74 95.47 5.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.002 0.429 . . . . 0.0 110.335 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.85 -49.55 3.62 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.275 -179.648 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -141.7 137.5 31.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.019 0.438 . . . . 0.0 110.914 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -71.22 134.75 47.11 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.79 178.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.416 -179.589 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.55 ' C ' ' H ' ' A' ' 3' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -72.12 22.88 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.339 2.026 . . . . 0.0 110.402 179.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.55 ' H ' ' C ' ' A' ' 1' ' ' GLY . 46.7 mt -50.17 -34.01 21.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.878 -178.744 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' MET . . . 51.61 -84.9 0.01 OUTLIER Glycine 0 N--CA 1.464 0.538 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' LEU . 94.7 p -43.75 -65.99 0.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.01 0.433 . . . . 0.0 110.743 -179.352 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' N ' ' OG ' ' A' ' 5' ' ' SER . 24.7 ttmt -47.82 -49.74 28.18 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.291 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.35 -40.71 96.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.031 179.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' GLY . 14.5 tpt -58.45 -45.56 88.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.384 -179.758 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.434 HD12 ' CE2' ' A' ' 98' ' ' TYR . 89.0 mt -65.17 -43.16 92.6 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.555 179.676 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.39 -48.56 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.649 -179.357 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -55.39 -50.85 68.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.519 1.152 . . . . 0.0 109.961 179.668 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.476 ' O ' ' CE ' ' A' ' 16' ' ' MET . 89.0 t90 -60.45 -58.28 9.15 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 112.499 -2.137 . . . . 0.0 110.968 -179.704 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.0 m -52.54 -45.95 66.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.083 0.468 . . . . 0.0 110.746 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -61.46 -48.72 79.86 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' SD ' ' A' ' 16' ' ' MET . . . -50.57 -23.34 2.48 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.144 -179.624 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 16' ' ' MET . 2.1 mpp? -107.92 -1.93 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.569 -179.749 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.554 ' OG1' HD12 ' A' ' 25' ' ' ILE . 24.7 m -88.57 -11.74 44.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.33 -179.698 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.84 -24.03 63.39 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.513 0.673 . . . . 0.0 109.847 179.271 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -67.88 -39.37 83.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.473 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -105.65 100.34 9.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.117 -178.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 23' ' ' VAL . 15.7 pt-20 -67.99 -173.02 0.33 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.619 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.0 OUTLIER 60.72 0.1 0.33 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.534 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.586 ' H ' ' C ' ' A' ' 21' ' ' GLU . 80.3 t -126.09 131.48 71.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.341 -179.519 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 40.2 p-10 -141.87 109.57 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.818 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.554 HD12 ' OG1' ' A' ' 17' ' ' THR . 90.3 mt -83.52 92.94 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.723 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -98.03 -23.6 15.7 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.702 -1.136 . . . . 0.0 108.825 178.222 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -148.68 -177.91 6.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.197 178.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -103.37 -7.11 21.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.03 0.443 . . . . 0.0 110.262 -179.435 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -105.8 -69.41 0.82 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.2 p -59.93 -44.14 94.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.662 -178.181 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.6 m -72.33 3.81 4.34 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.327 -178.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -115.79 -7.22 12.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.602 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.2 p -55.84 -34.43 65.41 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.491 -178.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 36' ' ' MET . 2.4 t -68.97 -24.6 64.26 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.762 -179.292 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 80.29 -11.05 39.43 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -178.013 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.437 ' H ' ' C ' ' A' ' 34' ' ' SER . 47.3 mmm -63.1 -29.78 71.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.592 -0.804 . . . . 0.0 110.246 179.351 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.33 62.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.543 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.38 -45.95 83.94 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.063 -179.109 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 4.1 m -67.25 -45.28 77.17 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.191 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.72 99.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.143 -178.451 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.21 -45.75 93.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.96 0.409 . . . . 0.0 110.434 -179.046 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.5 mm -65.51 -43.29 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.5 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -55.78 -16.42 4.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.008 0.432 . . . . 0.0 111.265 -178.467 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -71.68 -41.24 68.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.155 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.413 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 3.9 m-85 -97.71 -15.02 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.989 -177.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.505 ' CD1' HD13 ' A' ' 74' ' ' LEU . 59.9 m-85 -131.17 92.99 31.35 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.299 -178.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -76.19 -42.98 0.33 Allowed 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.959 1.772 . . . . 0.0 111.977 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -60.82 -14.15 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.33 -68.18 0.2 Allowed 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.903 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -169.61 164.54 10.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.656 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -84.34 97.2 9.33 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.48 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -61.56 -23.53 66.03 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 120.872 0.367 . . . . 0.0 111.124 -178.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.57 -18.46 51.68 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.768 -179.609 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -83.99 -20.17 33.28 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.8 -172.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.238 -179.094 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -155.79 136.83 9.19 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.097 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -55.43 -25.28 47.67 Favored 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 121.952 1.768 . . . . 0.0 109.768 -179.142 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.39 89.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.373 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.05 57.83 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.471 -179.392 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -71.64 -44.7 63.89 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -52.41 -47.88 66.05 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.324 0.583 . . . . 0.0 110.181 -178.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -67.55 -34.33 76.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.503 179.349 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.527 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 19.2 t-20 -61.29 -43.62 98.57 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.466 -179.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.459 ' CE1' ' SD ' ' A' ' 86' ' ' MET . 41.5 m-85 -66.93 -56.2 11.28 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.7 179.318 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.9 m -51.57 -42.51 61.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 70' ' ' THR . 60.5 tp -59.83 -50.09 75.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.191 -179.498 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.74 -39.47 80.99 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.196 -178.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -76.44 -46.88 25.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.125 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.0 m -65.79 -27.86 68.59 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.765 -179.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 66' ' ' LEU . 20.4 m -77.24 -51.32 11.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.189 178.451 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.09 77.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.857 -179.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' ASP . 43.7 tp10 -71.15 -49.73 40.84 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.081 0.467 . . . . 0.0 110.627 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -60.36 -40.99 92.74 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.619 -178.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 46' ' ' PHE . 96.2 mt -82.98 -43.67 16.14 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -178.784 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.22 2.92 10.9 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -177.59 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 72' ' ' GLU . 25.3 t70 49.34 36.98 10.61 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 119.748 -0.781 . . . . 0.0 109.747 179.444 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.6 t -49.2 -166.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.645 -178.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.7 172.25 9.39 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.194 179.543 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -127.89 36.2 4.37 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.75 -24.77 67.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.43 -178.246 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 mt -114.97 142.65 46.34 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 121.243 0.544 . . . . 0.0 112.232 -178.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -112.75 132.49 55.2 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.245 178.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 87' ' ' VAL . 69.6 t -47.19 -53.48 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.601 -179.389 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -54.92 -46.26 74.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.287 -178.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.4 -44.62 95.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.9 0.381 . . . . 0.0 110.153 -179.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.459 ' SD ' ' CE1' ' A' ' 64' ' ' PHE . 12.6 mtp -61.66 -44.29 97.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.468 0.651 . . . . 0.0 110.079 179.131 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 83' ' ' VAL . 72.1 t -65.11 -44.54 95.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.241 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -70.84 -47.18 60.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.776 -179.27 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.51 -50.29 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.451 . . . . 0.0 110.603 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.73 28.28 17.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.23 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 90' ' ' ALA . 56.1 t -164.06 88.96 1.13 Allowed Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 113.748 -1.569 . . . . 0.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.15 -174.9 1.51 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.937 1.758 . . . . 0.0 111.429 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -121.15 130.47 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.382 179.356 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.6 p -48.88 -31.82 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.928 -178.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -73.29 -37.07 66.36 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.443 178.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.7 m -66.78 -52.36 44.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.774 -179.209 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.53 -44.09 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.8 t80 -59.2 -51.62 69.19 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.151 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.442 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 19.0 m -58.23 -43.86 87.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.25 -179.437 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -61.96 -50.61 71.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.455 0.645 . . . . 0.0 110.342 179.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 105' ' ' TYR . 6.4 mm -59.88 -39.89 81.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.069 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -50.11 -63.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.442 ' OE1' ' O ' ' A' ' 99' ' ' THR . 2.5 mp0 -55.76 -44.16 77.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.598 0.713 . . . . 0.0 109.843 -178.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.87 -42.17 97.58 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.114 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 101' ' ' ILE . 86.5 t80 -55.64 -53.0 61.91 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.159 -177.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -63.44 -33.55 75.8 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.289 -178.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 19.1 m -61.38 -37.5 83.63 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.582 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.11 -41.11 74.43 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.171 0.51 . . . . 0.0 110.926 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.92 -48.11 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -177.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.29 -40.86 98.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -62.58 -29.35 70.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.226 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.74 14.93 51.48 Favored Glycine 0 N--CA 1.465 0.588 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.097 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.93 -46.4 44.52 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.432 -0.884 . . . . 0.0 111.08 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.7 t -85.4 -36.81 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.172 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -95.34 103.69 15.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.838 0.352 . . . . 0.0 110.24 179.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 p -104.21 -14.36 15.86 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.406 -179.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -73.37 -77.12 0.11 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.351 -179.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -77.71 169.62 17.97 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.391 -179.696 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -71.85 107.18 2.15 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.23 1.953 . . . . 0.0 110.523 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.6 mt -93.55 3.31 55.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.429 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.96 91.1 0.11 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 m -73.32 -66.2 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.407 . . . . 0.0 110.642 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -49.18 -24.77 1.85 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.561 -179.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -64.06 -38.76 92.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.938 179.514 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' ' 8' ' ' MET . 1.4 tmt? -60.14 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.497 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 ' CE2' ' A' ' 98' ' ' TYR . 87.8 mt -63.61 -43.62 96.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.571 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.21 -47.35 86.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.42 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.77 -52.31 66.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.461 1.124 . . . . 0.0 109.91 179.368 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -54.63 -59.8 4.21 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 112.824 -1.989 . . . . 0.0 111.202 -179.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -54.48 -45.65 73.25 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.087 0.47 . . . . 0.0 110.431 179.523 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -61.22 -50.44 73.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.664 179.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.77 -22.93 39.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.384 -179.092 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 16' ' ' MET . 1.6 mpp? -106.19 0.49 25.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.663 -179.354 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.525 ' O ' HG22 ' A' ' 17' ' ' THR . 73.9 m -109.39 -4.05 16.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 111.054 -179.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 20' ' ' TYR . 74.5 mtp85 -64.79 -55.48 19.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.521 0.677 . . . . 0.0 109.808 179.02 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -41.2 -24.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.017 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.532 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 24.5 m-85 -93.23 154.41 18.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.432 179.804 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.7 pm0 -121.26 174.1 6.91 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.921 0.391 . . . . 0.0 110.831 -179.275 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.3 t60 61.11 0.99 0.44 Allowed 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.407 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.547 ' H ' ' C ' ' A' ' 21' ' ' GLU . 75.9 t -124.14 130.62 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.823 -179.692 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 1.0 OUTLIER -145.81 108.71 4.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.64 179.571 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.7 mt -85.97 92.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.495 0.664 . . . . 0.0 112.492 -178.153 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -97.33 -23.17 16.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.065 178.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -144.92 180.0 6.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.228 178.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.429 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 63.2 m-85 -104.0 -9.3 18.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.101 0.477 . . . . 0.0 110.392 -179.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.6 t -108.21 -69.1 0.87 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.709 -177.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.8 t -61.27 -44.19 97.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.281 -178.742 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.05 0.88 6.58 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.696 -178.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.429 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.5 m95 -113.98 -4.81 13.19 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.649 -179.117 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -61.1 -4.04 0.99 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.515 -178.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.466 ' C ' ' H ' ' A' ' 36' ' ' MET . 1.4 m -95.34 -27.21 15.57 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.6 0.238 . . . . 0.0 111.608 -179.368 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' O ' ' OD1' ' A' ' 63' ' ' ASN . . . 80.29 -15.28 18.24 Favored Glycine 0 N--CA 1.459 0.174 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 -178.127 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.466 ' H ' ' C ' ' A' ' 34' ' ' SER . 42.7 mmm -61.85 -26.39 68.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.67 -0.765 . . . . 0.0 110.319 179.87 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.21 45.0 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.923 -179.141 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.17 -46.71 82.55 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.231 -178.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' SG ' ' OD1' ' A' ' 63' ' ' ASN . 27.8 p -68.62 -43.47 76.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.796 -179.841 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.429 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -62.1 -42.77 99.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.218 -178.845 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.36 -43.78 98.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.031 0.443 . . . . 0.0 110.607 -178.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 42' ' ' ILE . 28.0 mm -64.58 -42.25 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.162 179.154 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.532 ' HD1' ' HH ' ' A' ' 20' ' ' TYR . 52.4 t-80 -56.12 -40.53 73.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 -179.018 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -51.1 -40.22 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.524 0.678 . . . . 0.0 110.745 -178.629 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.0 -45.55 19.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.637 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.55 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 15.8 m-85 -114.82 79.54 5.94 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.312 -177.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -47.24 -34.72 18.74 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.727 1.618 . . . . 0.0 111.64 -179.37 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -64.31 -16.7 62.68 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.207 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 46' ' ' PHE . . . -34.25 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.156 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 2.7 p90 -170.16 166.01 9.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.858 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 43.5 t0 -79.64 95.53 5.94 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.782 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -67.27 -23.44 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.142 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.58 -11.96 59.95 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.73 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -92.61 -13.21 29.92 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.615 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.38 146.57 31.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.01 0.433 . . . . 0.0 110.955 -178.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' ALA . 19.9 m-20 -122.18 143.17 38.44 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.222 -179.578 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -52.36 -9.12 0.47 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.026 1.817 . . . . 0.0 110.013 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' ASP . . . -86.79 -8.85 56.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.978 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -114.66 44.99 1.64 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.953 -178.656 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -64.91 -44.41 89.66 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.551 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -48.66 -54.84 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.222 0.534 . . . . 0.0 110.396 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 66' ' ' LEU . 88.4 m-70 -63.43 -33.24 75.12 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.637 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.463 ' OD1' ' SG ' ' A' ' 39' ' ' CYS . 13.6 t-20 -58.39 -45.57 88.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.151 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.448 ' CD1' ' SD ' ' A' ' 86' ' ' MET . 59.0 m-85 -67.24 -56.8 8.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.367 179.633 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.7 m -52.95 -43.73 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.129 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' CB ' ' O ' ' A' ' 62' ' ' HIS . 61.9 tp -61.7 -50.05 74.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.2 -179.659 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.02 80.65 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.938 -179.185 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -78.28 -45.92 21.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -63.09 -31.73 72.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -76.06 -48.22 21.67 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.409 178.659 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.12 -34.88 79.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.799 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 76' ' ' ASP . 43.0 tt0 -69.48 -50.1 48.49 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.625 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.48 -40.21 90.47 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.749 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.472 HD13 ' CG ' ' A' ' 46' ' ' PHE . 96.7 mt -79.26 -46.22 18.22 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.759 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.42 7.83 8.37 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 72' ' ' GLU . 71.6 m-20 49.4 40.51 18.87 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.953 179.362 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 76' ' ' ASP . 4.9 t -44.55 -172.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.665 -178.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.63 172.27 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.443 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -124.13 38.73 4.13 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.6 mt -68.5 -28.63 67.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.644 -178.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mt -117.67 142.21 47.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.235 0.54 . . . . 0.0 112.332 -178.173 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.488 ' N ' ' OD2' ' A' ' 85' ' ' ASP . 81.7 mt-10 -110.48 141.79 43.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.29 179.057 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.34 -51.91 58.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.358 -178.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.24 -46.19 72.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.428 -178.742 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -64.5 -43.55 93.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.1 0.476 . . . . 0.0 110.405 -179.879 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.464 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 5.2 mtp -62.37 -44.57 96.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.577 0.703 . . . . 0.0 109.279 -179.506 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.7 t -69.85 -42.03 79.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.913 179.249 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -70.83 -47.0 61.75 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.742 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.93 -50.78 63.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.072 0.463 . . . . 0.0 110.286 -179.484 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 61.89 24.51 14.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -177.469 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 90' ' ' ALA . 54.2 t -162.36 89.32 1.38 Allowed Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.501 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.33 -175.34 1.95 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.909 1.739 . . . . 0.0 111.239 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -117.32 129.55 55.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.182 179.461 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 m -49.38 -33.58 14.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.967 -178.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -73.66 -36.22 65.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.563 179.003 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.7 m -66.01 -50.16 65.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.988 0.423 . . . . 0.0 110.691 -179.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.27 -44.9 99.66 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.1 t80 -58.16 -50.63 72.83 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.121 179.791 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.9 m -58.37 -42.77 87.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.986 -179.555 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -62.41 -50.34 71.9 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.308 0.575 . . . . 0.0 110.133 179.435 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.439 ' CG2' HD22 ' A' ' 9' ' ' LEU . 26.7 mm -61.02 -41.36 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.966 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -49.92 -62.78 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.879 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.47 -45.74 88.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.884 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.7 tp -59.59 -45.69 91.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -53.28 -48.09 68.61 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.572 0.701 . . . . 0.0 109.659 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -60.24 -38.13 82.49 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.13 -178.498 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.8 t -60.82 -40.78 94.04 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.854 178.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.28 -37.82 81.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.15 179.518 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.35 -48.64 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.968 -178.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -64.94 -42.01 95.02 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.311 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -64.53 -19.13 65.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.141 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 75.87 20.98 77.38 Favored Glycine 0 N--CA 1.463 0.456 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.2 mt -72.93 -45.58 57.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.838 -0.681 . . . . 0.0 110.982 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.25 -29.1 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.104 -178.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -104.85 103.92 13.6 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.209 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 m -75.48 -56.24 4.9 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.556 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -144.6 141.94 29.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.092 -179.659 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 119' ' ' LYS . 62.4 pttt -89.61 137.62 32.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.247 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 118' ' ' LYS . 17.0 pttp . . . . . 0 N--CA 1.466 0.369 0 CA-C-O 117.831 -1.08 . . . . 0.0 111.169 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -55.27 -34.48 88.51 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.026 1.817 . . . . 0.0 109.881 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.7 mt -80.95 -59.16 2.77 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.35 126.55 0.97 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m -61.43 -60.67 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.014 0.435 . . . . 0.0 110.534 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -45.52 -41.78 10.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.595 -179.584 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -65.0 -41.63 95.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.038 0.447 . . . . 0.0 110.126 179.658 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 tpt -59.79 -49.3 78.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.485 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 98' ' ' TYR . 95.8 mt -64.97 -45.06 87.27 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.365 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.58 -47.5 85.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.696 -179.296 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.04 -51.03 70.9 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 122.644 1.212 . . . . 0.0 109.939 179.624 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -60.75 -62.61 1.73 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 112.386 -2.188 . . . . 0.0 111.543 -179.729 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.511 ' SG ' HD22 ' A' ' 41' ' ' LEU . 2.0 t -51.55 -45.11 62.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.139 0.495 . . . . 0.0 111.335 179.558 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -58.79 -44.66 90.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.1 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.9 -32.59 46.02 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.466 -179.356 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.1 mmt -88.39 -3.72 58.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.823 -179.536 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.46 ' OG1' HD12 ' A' ' 25' ' ' ILE . 96.2 m -89.2 -13.66 37.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.501 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -65.79 -39.64 91.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.62 0.724 . . . . 0.0 109.675 179.228 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -64.67 -37.57 88.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.376 -1.283 . . . . 0.0 110.222 179.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' OH ' ' C ' ' A' ' 43' ' ' HIS . 72.4 m-85 -91.54 152.12 20.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.935 -179.424 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' A' ' 23' ' ' VAL . 1.7 pm0 -119.78 172.08 7.95 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.557 -179.576 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.636 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 38.1 t-80 62.38 3.93 1.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -179.301 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.49 ' H ' ' C ' ' A' ' 21' ' ' GLU . 69.3 t -126.95 127.81 70.13 Favored 'Isoleucine or valine' 0 C--O 1.23 0.066 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.743 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -141.88 111.57 6.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.853 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.46 HD12 ' OG1' ' A' ' 17' ' ' THR . 89.2 mt -87.79 84.33 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 112.25 -178.119 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -92.57 -25.19 18.46 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.059 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -143.44 -176.07 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.294 178.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.441 ' HA ' ' NE1' ' A' ' 32' ' ' TRP . 64.7 m-85 -108.17 -13.26 14.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.201 0.524 . . . . 0.0 110.456 -179.753 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.4 t -105.87 -71.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.922 -178.344 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.1 t -61.71 -44.45 96.9 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.303 -178.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.1 m -69.55 1.84 3.7 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.033 -178.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.441 ' NE1' ' HA ' ' A' ' 28' ' ' PHE . 31.2 m95 -114.32 -3.1 13.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.695 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -54.72 -32.97 60.41 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.324 -179.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.553 ' C ' ' H ' ' A' ' 36' ' ' MET . 78.3 p -67.3 -24.94 65.81 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.538 -179.241 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.48 -12.41 5.88 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 -178.308 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.553 ' H ' ' C ' ' A' ' 34' ' ' SER . 69.8 mtp -65.9 -16.65 64.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.563 -0.818 . . . . 0.0 110.359 179.644 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.3 -49.34 35.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.695 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -56.79 -44.08 81.55 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.012 -178.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 63' ' ' ASN . 91.3 m -70.02 -45.17 67.79 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.243 -179.696 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.13 -43.1 95.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.657 -178.568 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 45' ' ' PHE . 46.1 tp -66.58 -43.03 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.967 0.413 . . . . 0.0 110.976 -179.006 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.487 ' C ' ' H ' ' A' ' 44' ' ' LYS . 30.4 mm -68.37 -45.67 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.933 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.515 ' CD2' ' O ' ' A' ' 50' ' ' PHE . 28.1 t-80 -59.36 -1.68 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.267 -178.575 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 42' ' ' ILE . 13.4 tmtt? -83.95 -36.53 23.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.633 -179.078 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -99.13 -17.15 18.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.681 -178.142 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CD1' HD13 ' A' ' 74' ' ' LEU . 82.1 m-85 -123.14 99.13 41.03 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.486 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.6 ' C ' ' H ' ' A' ' 49' ' ' ALA . 3.2 Cg_exo -75.14 -40.37 0.89 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.814 1.676 . . . . 0.0 111.867 -179.743 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.25 14.68 0.21 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.6 ' H ' ' C ' ' A' ' 47' ' ' PRO . . . -77.13 -77.53 0.14 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.752 -179.382 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 27.0 p90 -166.95 160.54 14.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.671 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -84.43 97.15 9.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.711 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -61.55 -22.22 64.97 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.05 -179.342 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.67 -15.89 55.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.568 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -86.93 -20.38 27.43 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.56 -179.649 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 79.2 mt -78.81 150.7 32.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.055 0.455 . . . . 0.0 110.849 -179.141 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.83 146.25 37.36 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.395 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -50.86 -23.5 11.86 Favored 'Trans proline' 0 N--CA 1.486 1.06 0 C-N-CA 122.057 1.838 . . . . 0.0 109.952 -179.498 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.61 94.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.447 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -82.51 68.98 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.503 -179.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.548 ' O ' ' ND2' ' A' ' 63' ' ' ASN . 14.5 ptm180 -84.7 -47.06 10.84 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 60' ' ' ARG . 67.6 mtm180 -51.48 -45.61 62.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.302 0.572 . . . . 0.0 110.147 -178.337 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -64.19 -35.37 80.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -60.77 -45.17 95.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.166 0.507 . . . . 0.0 111.167 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD2' ' ND2' ' A' ' 63' ' ' ASN . 53.3 m-85 -65.7 -53.58 38.99 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.607 -179.518 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.495 ' OG1' HG21 ' A' ' 83' ' ' VAL . 19.4 m -57.85 -45.04 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.698 179.702 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.58 -48.07 82.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.255 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.7 79.84 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.956 -0.697 . . . . 0.0 110.055 -179.18 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 64' ' ' PHE . 25.7 m-85 -80.91 -48.45 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.965 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 m -60.95 -29.46 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.64 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.7 m -77.82 -47.23 19.38 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.086 178.591 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ALA . . . -63.25 -33.95 76.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.979 -179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 76' ' ' ASP . 93.4 mt-10 -70.42 -50.47 38.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.212 0.53 . . . . 0.0 110.812 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -62.02 -40.35 95.41 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.848 -179.006 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 46' ' ' PHE . 97.1 mt -85.44 -37.98 19.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -178.727 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' ALA . . . -122.59 -0.93 9.1 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -177.638 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 72' ' ' GLU . 57.3 t0 47.54 36.91 5.73 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.876 -0.73 . . . . 0.0 109.815 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' ASP . 3.9 t -50.32 -167.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.724 -178.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 103' ' ' GLU . . . -86.51 172.85 10.0 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.165 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -126.98 70.8 1.29 Allowed 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -101.07 -25.7 13.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.57 -178.721 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -110.35 140.57 44.41 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 121.171 0.51 . . . . 0.0 111.896 -178.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -115.82 126.17 53.64 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.02 179.047 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.495 HG21 ' OG1' ' A' ' 65' ' ' THR . 93.3 t -45.16 -53.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.531 -179.027 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.83 -46.42 71.17 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.304 -178.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -64.68 -42.83 95.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.939 0.4 . . . . 0.0 110.042 -179.623 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.482 ' SD ' ' CD1' ' A' ' 64' ' ' PHE . 4.6 mtp -62.09 -45.27 94.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.574 0.702 . . . . 0.0 109.8 179.113 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 83' ' ' VAL . 77.8 t -66.05 -43.56 92.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.851 179.324 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -70.26 -47.41 61.41 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.764 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.71 -49.05 67.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.042 0.449 . . . . 0.0 110.422 -179.546 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 91' ' ' VAL . . . 59.23 30.19 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -177.224 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 90' ' ' ALA . 53.6 t -164.78 92.88 0.95 Allowed Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 113.861 -1.518 . . . . 0.0 109.437 -179.807 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -73.52 -177.69 3.23 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 C-N-CA 121.994 1.796 . . . . 0.0 111.385 179.513 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -119.3 130.25 55.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.219 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 p -48.53 -32.99 8.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.006 -178.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -74.03 -36.34 64.42 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.66 178.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.7 m -66.17 -53.53 36.4 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 -178.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.93 -44.11 97.3 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 98' ' ' TYR . 18.9 t80 -58.33 -50.85 72.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.942 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.7 m -58.57 -42.69 88.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.128 -179.581 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -61.3 -51.64 68.02 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.485 0.66 . . . . 0.0 110.4 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.4 mm -60.35 -40.1 82.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.156 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.36 -60.71 2.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.729 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 78' ' ' ALA . 65.3 mt-10 -59.11 -46.03 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.554 -179.262 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 tp -59.45 -46.53 88.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.633 -179.483 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -52.74 -47.42 67.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.507 0.67 . . . . 0.0 109.663 -179.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.16 -41.86 97.52 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.955 -178.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.0 p -59.49 -38.75 81.69 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.899 179.145 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' A' ' 114' ' ' VAL . 96.8 mt -63.76 -39.92 95.45 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.834 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.13 -46.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.429 -178.68 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.8 -51.5 66.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.413 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -57.68 -25.03 59.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.201 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.89 21.14 63.96 Favored Glycine 0 N--CA 1.464 0.549 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.294 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.9 mt -72.01 -44.19 63.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.393 -0.904 . . . . 0.0 111.031 179.124 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' A' ' 108' ' ' LEU . 2.4 t -65.86 -29.96 48.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.177 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -92.04 54.2 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.002 0.429 . . . . 0.0 110.217 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.9 m -95.24 -38.27 10.63 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.618 -179.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -144.97 157.95 43.97 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.618 -179.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -75.47 158.64 32.33 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.134 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.364 -179.548 . . . . . . . . 0 0 . 1 stop_ save_