data_2jny_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 2jny _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.438 HD11 HD11 ' A' ' 29' ' ' LEU . 86.7 mt . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.792 0.33 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.91 154.45 28.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.494 -177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.51 ' HB2' HD23 ' A' ' 20' ' ' LEU . 36.8 t -67.45 136.75 93.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.792 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 37.4 Cg_exo -61.8 -26.63 79.7 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.878 2.386 . . . . 0.0 113.142 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.915 ' HD3' HG21 ' A' ' 49' ' ' ILE . 54.2 mtmt -100.0 -55.83 2.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.697 0.284 . . . . 0.0 111.539 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.89 -27.29 60.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.998 0.428 . . . . 0.0 110.877 -176.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 41.1 tptt 65.93 10.32 6.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.156 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.96 151.72 20.95 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.567 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.38 129.48 25.48 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.687 2.258 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 13' ' ' CYS . 75.6 mt -81.98 146.57 29.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.9 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -83.85 120.27 25.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -88.63 116.0 26.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.191 -172.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.6 mm? -94.0 112.51 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.14 -28.64 64.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.726 -173.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 m -65.83 -38.81 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -172.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.5 13.58 4.99 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.748 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.541 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 10.9 mp0 52.49 65.16 1.59 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.212 0.529 . . . . 0.0 111.541 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.2 mt -118.61 138.2 52.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.372 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.438 HD11 HD11 ' A' ' 11' ' ' LEU . 88.8 mt -112.64 108.82 18.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.05 129.93 69.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.19 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -87.64 115.3 24.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 171.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -80.04 -7.08 58.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.35 0.595 . . . . 0.0 111.509 -169.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -99.22 -36.7 9.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.69 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -93.06 -18.24 22.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.9 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.0 m120 67.2 35.84 4.31 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.603 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.2 mt -118.27 147.25 43.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.826 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.7 141.66 51.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.156 0.503 . . . . 0.0 111.714 -174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -111.99 138.25 48.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.892 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -98.06 139.99 33.06 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.18 0.515 . . . . 0.0 111.465 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.541 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 54.6 mt -95.15 111.72 26.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 169.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -108.92 101.73 10.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 -170.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 60.65 45.02 10.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.884 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.38 -16.25 60.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.783 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 mm -108.31 108.42 61.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.745 0.273 . . . . 0.0 110.63 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.532 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 5.1 Cg_exo -77.28 117.53 4.4 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.229 2.619 . . . . 0.0 111.101 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 51' ' ' GLU . 10.8 t -84.83 87.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.266 0.555 . . . . 0.0 110.437 -177.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -95.14 96.62 9.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.451 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 51' ' ' GLU . 95.2 mt -131.97 170.64 14.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.159 178.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.915 HG21 ' HD3' ' A' ' 15' ' ' LYS . 46.8 mt -70.27 -41.61 78.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.462 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -114.67 5.72 15.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.155 0.502 . . . . 0.0 111.392 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 46' ' ' VAL . 9.8 tp10 -90.73 8.17 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.563 0.697 . . . . 0.0 110.024 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.02 128.69 34.35 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.859 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 t -100.67 155.99 17.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.015 0.436 . . . . 0.0 110.553 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.23 133.34 46.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.309 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 . . . . . 0 C--N 1.319 -0.751 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.71 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.26 147.19 38.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.583 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.633 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 12.2 m -71.38 152.84 94.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.803 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HG3' ' HB3' ' A' ' 47' ' ' LEU . 3.0 Cg_exo -76.4 -3.79 14.24 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.726 2.284 . . . . 0.0 112.027 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -86.18 -75.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.287 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -106.54 0.3 24.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.276 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 43.5 tttp 59.0 33.21 22.9 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.266 -175.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.73 155.28 29.02 Favored Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.679 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.42 130.56 34.3 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.071 2.514 . . . . 0.0 112.824 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.76 HD11 HD12 ' A' ' 29' ' ' LEU . 32.4 mt -79.3 134.52 36.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.974 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -84.69 110.34 18.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -87.2 119.04 27.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.576 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.6 mm? -89.29 121.35 31.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 172.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.34 -19.63 56.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 m -58.31 -63.88 1.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.089 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -126.29 24.71 6.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.173 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 54.49 72.79 0.44 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.4 mt -118.71 138.75 52.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.112 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.76 HD12 HD11 ' A' ' 20' ' ' LEU . 96.5 mt -114.25 110.41 19.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.92 129.82 70.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.916 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -81.28 116.4 21.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 174.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.97 1.24 24.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.899 0.38 . . . . 0.0 111.473 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -102.83 -47.21 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.86 0.362 . . . . 0.0 111.268 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -101.06 -7.36 23.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.55 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 65.35 47.08 2.42 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.617 0.722 . . . . 0.0 110.119 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.9 mt -117.7 149.84 40.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.9 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.89 140.5 52.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.083 0.468 . . . . 0.0 111.336 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -119.34 146.33 45.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.457 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 39' ' ' ARG . 47.9 mtt180 -96.41 142.3 28.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.005 0.431 . . . . 0.0 110.882 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.45 HD11 ' HG ' ' A' ' 29' ' ' LEU . 67.0 mt -105.18 112.67 39.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.489 174.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -91.5 93.93 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.064 0.459 . . . . 0.0 110.76 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 59.77 16.23 5.42 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.204 174.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.13 -6.82 7.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.673 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -107.95 112.25 61.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.693 0.283 . . . . 0.0 110.573 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.54 118.14 5.5 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.586 2.191 . . . . 0.0 111.601 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.6 t -77.63 91.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.043 0.449 . . . . 0.0 110.269 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.633 ' HB3' ' HG3' ' A' ' 14' ' ' PRO . 94.4 mt -95.33 81.45 3.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.495 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.511 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 96.0 mt -128.87 149.91 50.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.617 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.8 mt -73.88 -40.84 53.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.823 0.344 . . . . 0.0 111.71 -174.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -82.49 -25.83 33.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.871 0.367 . . . . 0.0 111.132 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 4.3 mp0 -78.58 -15.21 58.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.792 0.329 . . . . 0.0 111.073 177.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.87 113.72 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.101 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.6 m -105.19 152.03 23.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.465 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.86 125.12 28.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.836 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.445 ' HA ' ' CE3' ' A' ' 55' ' ' TRP . 3.4 t-105 . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.046 0.45 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.76 144.41 50.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.604 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -72.08 123.07 88.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.042 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD2' ' OH ' ' A' ' 38' ' ' TYR . 52.3 Cg_exo -57.1 -10.65 6.29 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 123.385 2.723 . . . . 0.0 113.856 -177.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -79.64 -67.41 0.76 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.727 0.299 . . . . 0.0 111.234 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.66 4.28 14.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 111.707 -171.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 69.38 15.53 8.4 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.865 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -71.03 142.49 34.61 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.179 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 39.0 Cg_exo -61.15 141.28 93.12 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.137 2.558 . . . . 0.0 112.602 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 31' ' ' ASN . 91.4 mt -94.68 144.63 25.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.28 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -86.85 126.53 34.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -89.16 101.76 14.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.858 0.361 . . . . 0.0 110.768 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mp -91.05 107.02 18.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.319 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.47 -9.22 58.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.51 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p -76.13 -62.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.472 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.94 13.48 30.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.291 -175.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 55.66 55.03 7.58 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.554 0.534 . . . . 0.0 110.218 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -118.24 140.59 49.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.169 -175.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.96 108.33 18.05 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 169.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -114.81 124.92 71.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.068 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.484 ' HB2' HD23 ' A' ' 20' ' ' LEU . 34.3 t30 -93.16 114.72 27.3 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.22 -13.44 60.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.131 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -78.05 -29.22 49.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.2 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.29 -1.98 8.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 60.66 38.36 18.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.751 0.31 . . . . 0.0 110.74 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD12 ' HB1' ' A' ' 52' ' ' ALA . 99.0 mt -117.75 133.61 55.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.394 -177.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.12 139.24 53.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.641 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.594 ' HH ' ' HB3' ' A' ' 52' ' ' ALA . 56.2 m-85 -120.19 152.12 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.322 -0.854 . . . . 0.0 108.96 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -101.54 145.31 29.19 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.459 0.647 . . . . 0.0 111.907 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 60.9 mt -95.84 112.55 28.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.57 171.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -109.76 114.86 28.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.723 0.297 . . . . 0.0 110.836 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.3 t70 59.31 36.46 23.54 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.913 0.863 . . . . 0.0 110.537 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.63 -0.46 89.21 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.555 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.5 mt -107.63 110.85 62.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 40.3 Cg_endo -68.79 111.43 2.61 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.171 1.914 . . . . 0.0 111.321 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' HG3' ' A' ' 51' ' ' GLU . 42.0 t -78.75 89.36 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.262 0.553 . . . . 0.0 110.446 -177.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.9 mt -100.08 81.32 2.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.444 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 89.1 mt -118.1 152.9 34.69 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 mt -56.63 -49.01 79.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.869 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.28 13.22 12.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.934 0.397 . . . . 0.0 111.685 -175.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HG3' HG12 ' A' ' 46' ' ' VAL . 66.3 mm-40 -93.95 -8.87 38.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 173.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.594 ' HB3' ' HH ' ' A' ' 38' ' ' TYR . . . -70.17 98.37 1.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.893 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 p -94.32 143.37 26.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.005 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.15 123.96 26.19 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -172.151 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.236 0.386 0 CA-C-O 121.258 0.552 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.41 145.87 39.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.345 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 6.5 p -76.08 129.95 79.32 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.14 -32.0 92.09 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.041 2.494 . . . . 0.0 112.781 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HD2' HG22 ' A' ' 49' ' ' ILE . 52.5 mtpt -77.06 -62.21 1.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.0 0.429 . . . . 0.0 111.713 -176.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.558 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 29.8 t70 -88.57 -21.95 23.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.694 -170.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? 67.74 20.16 9.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.14 0.495 . . . . 0.0 110.926 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.48 162.91 24.77 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.737 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.03 137.35 52.19 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.03 2.487 . . . . 0.0 112.465 -177.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.503 HD23 ' HB3' ' A' ' 13' ' ' CYS . 85.7 mt -89.75 134.8 33.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.797 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -84.8 129.0 34.88 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 36.7 t80 -95.02 117.89 30.91 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.352 -173.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -105.53 98.86 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.012 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.496 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 4.6 mp0 -62.76 -38.53 90.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 m -51.77 -38.58 56.07 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -173.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -132.71 11.5 4.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.276 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.53 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 32.2 mm-40 56.94 62.46 2.24 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.256 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.25 147.79 52.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.021 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -118.42 110.51 17.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.849 174.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.7 t -118.72 134.09 63.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.909 -174.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -104.81 124.99 50.4 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.18 -43.23 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.306 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -87.73 15.11 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.991 -174.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 16' ' ' ASP . 36.2 mt -124.06 -30.66 3.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.263 172.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 m120 65.02 26.78 12.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.449 0.642 . . . . 0.0 109.797 -173.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 52' ' ' ALA . 88.5 mt -118.31 147.01 43.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.251 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.25 138.05 54.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.829 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -109.54 141.47 41.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -90.67 144.2 25.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.251 0.548 . . . . 0.0 111.563 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.53 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 69.1 mt -107.69 112.37 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.037 175.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -94.91 107.07 19.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.744 0.307 . . . . 0.0 110.88 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.5 t70 62.21 19.61 11.09 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.808 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.69 -2.34 34.14 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.249 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.22 107.69 60.8 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.63 112.49 3.57 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.088 2.525 . . . . 0.0 111.829 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.19 97.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.098 0.475 . . . . 0.0 109.892 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.7 mt -93.51 89.35 6.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.71 154.36 50.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.91 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.427 HG22 ' HD2' ' A' ' 15' ' ' LYS . 42.3 mt -76.49 -18.81 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.986 0.898 . . . . 0.0 108.948 177.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.14 -18.98 61.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.376 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -104.24 13.22 32.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.639 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -79.14 110.35 14.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.985 0.422 . . . . 0.0 111.526 -175.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.3 p -112.95 141.58 46.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.432 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.7 131.35 38.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -169.39 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.521 ' HB2' ' HA ' ' A' ' 17' ' ' LYS . . . -133.37 155.3 49.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.066 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.778 ' HG ' ' HE2' ' A' ' 38' ' ' TYR . 33.5 m -72.5 145.53 87.73 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.58 16.86 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 123.045 2.497 . . . . 0.0 113.079 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 13' ' ' CYS . 34.6 ttmt -135.99 -64.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.262 0.553 . . . . 0.0 109.586 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.81 -38.07 73.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.342 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.521 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 29.2 mtpp 62.26 21.24 12.35 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.865 0.364 . . . . 0.0 111.429 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.69 -169.26 35.45 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.382 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -75.62 134.68 17.09 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.854 2.369 . . . . 0.0 113.42 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD23 ' SG ' ' A' ' 13' ' ' CYS . 74.8 mt -102.69 138.04 40.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.356 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.9 mtm105 -84.99 125.25 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -90.86 105.63 17.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.594 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.69 109.36 16.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.76 -37.77 62.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.462 0.649 . . . . 0.0 110.78 -175.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -71.42 -32.91 68.92 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.906 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -105.73 -16.0 14.8 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 59.61 49.71 8.09 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.27 0.557 . . . . 0.0 112.009 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.4 mt -136.3 156.76 48.19 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.856 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 59.3 mt -110.37 110.2 20.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.829 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 37' ' ' ALA . 44.3 t -113.36 127.27 70.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.807 0.336 . . . . 0.0 111.427 -173.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -92.96 117.53 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -62.08 -26.72 68.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.37 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -89.85 -9.22 49.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.537 -175.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.6 mt -117.44 -20.46 9.07 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.7 m120 63.64 24.53 13.97 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.313 0.578 . . . . 0.0 110.799 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.96 147.93 43.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.464 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 29' ' ' LEU . . . -122.25 136.37 54.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.602 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.778 ' HE2' ' HG ' ' A' ' 13' ' ' CYS . 98.5 m-85 -99.61 149.58 23.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.169 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -82.32 140.05 33.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.822 -173.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.9 mt -103.71 111.17 32.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 168.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -103.35 98.65 8.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -171.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 55.46 31.89 17.85 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.28 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.03 -11.85 40.86 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.941 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.9 mt -108.42 116.34 56.57 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 122.466 -0.432 . . . . 0.0 110.52 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.48 120.25 6.81 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.606 2.204 . . . . 0.0 112.401 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.3 t -93.41 99.19 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.063 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.3 mt -94.13 77.35 4.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.2 mt -134.24 144.15 48.23 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.17 -41.83 84.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.812 0.339 . . . . 0.0 111.757 -173.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.93 -17.07 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.697 0.284 . . . . 0.0 110.978 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -90.76 -7.0 53.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.04 165.79 22.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.347 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -128.77 153.23 47.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.451 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -80.62 128.14 33.27 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.705 0.288 . . . . 0.0 110.496 -175.03 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.235 0.306 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.28 167.78 21.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.71 0.29 . . . . 0.0 111.444 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.623 ' SG ' HD23 ' A' ' 20' ' ' LEU . 75.9 m -86.47 157.73 55.39 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.995 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.11 14.89 2.23 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.637 2.225 . . . . 0.0 113.24 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -120.71 -69.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.665 0.269 . . . . 0.0 111.057 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -89.27 -23.31 22.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.195 0.521 . . . . 0.0 109.88 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 68.4 tttt 61.8 35.5 16.64 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.683 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA3' ' NH1' ' A' ' 33' ' ' ARG . . . -89.51 164.02 31.53 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.26 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.32 120.14 7.38 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.112 2.541 . . . . 0.0 112.584 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.623 HD23 ' SG ' ' A' ' 13' ' ' CYS . 51.7 mt -75.34 143.36 42.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.261 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -84.63 124.32 31.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -91.96 122.07 34.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.05 0.453 . . . . 0.0 111.04 -171.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.7 mm? -96.03 109.42 21.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.669 173.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.56 -30.56 71.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.796 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 p -51.58 -63.55 1.1 Allowed 'General case' 0 C--O 1.237 0.414 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -124.28 21.58 8.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -176.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 53.57 72.61 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.473 0.654 . . . . 0.0 110.631 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 92.6 mt -120.23 148.99 42.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.717 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB3' HD12 ' A' ' 20' ' ' LEU . 95.6 mt -122.33 109.81 14.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.286 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -111.18 128.59 67.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.84 0.352 . . . . 0.0 110.578 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -92.41 116.72 29.23 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -81.57 1.66 32.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.082 0.467 . . . . 0.0 111.003 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.447 ' NH1' ' HA3' ' A' ' 18' ' ' GLY . 91.7 mtt180 -89.92 -63.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.177 0.513 . . . . 0.0 110.106 172.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.91 -8.86 58.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.153 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.47 30.52 15.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.449 0.643 . . . . 0.0 109.961 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 HD13 ' HB2' ' A' ' 52' ' ' ALA . 98.3 mt -118.05 150.04 39.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.317 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.85 141.23 52.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.444 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -116.69 147.21 42.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.157 174.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -101.42 140.93 35.04 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.735 0.303 . . . . 0.0 111.221 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.463 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 67.4 mt -94.6 113.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -99.62 100.15 11.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.6 t70 47.01 64.9 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.56 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.63 -17.99 41.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.667 176.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.4 mt -109.75 109.86 59.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 117.273 0.536 . . . . 0.0 111.345 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 45.2 Cg_endo -70.52 109.64 2.51 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.414 2.076 . . . . 0.0 111.48 175.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.8 t -78.06 99.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.658 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.0 mt -101.13 75.66 1.67 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.208 0.528 . . . . 0.0 110.765 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.4 mt -123.14 138.28 54.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.971 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.98 -34.71 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 110.554 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -69.56 -27.39 65.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.906 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -84.74 -17.54 38.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.757 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' HB2' HD13 ' A' ' 36' ' ' LEU . . . -63.67 109.48 1.7 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.677 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -117.19 151.44 36.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.307 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -73.63 134.02 43.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.561 -175.569 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.621 HD13 HD12 ' A' ' 29' ' ' LEU . 78.3 mt . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.97 155.25 49.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.877 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.26 132.83 92.72 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.646 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.96 -31.3 91.3 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 122.727 2.285 . . . . 0.0 112.869 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -91.7 -53.23 4.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.758 0.313 . . . . 0.0 111.09 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -84.95 -24.07 28.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.165 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 66.0 13.82 9.27 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.788 0.435 . . . . 0.0 111.382 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.15 147.92 26.43 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.958 177.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.69 126.0 18.01 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.912 2.408 . . . . 0.0 112.036 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 82.4 mt -84.35 140.21 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.254 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -84.95 124.26 31.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -86.25 111.14 20.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.696 -173.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.6 100.37 13.19 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -65.92 -42.09 90.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.953 -172.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -60.77 -32.88 72.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.311 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -114.61 -1.43 13.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -173.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 60.82 40.87 15.4 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.395 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -118.01 144.25 45.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.004 0.43 . . . . 0.0 111.539 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD12 HD13 ' A' ' 11' ' ' LEU . 95.4 mt -110.91 110.95 21.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.408 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -110.18 125.84 67.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.916 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.488 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . 38.0 t30 -97.66 115.75 28.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.98 -15.24 62.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.334 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.15 -28.08 57.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.321 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -120.49 -7.06 9.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 60.92 33.1 19.97 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.449 0.642 . . . . 0.0 110.134 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.5 mt -117.98 147.37 43.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.384 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.83 135.89 54.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.288 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -109.35 140.57 42.88 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -97.42 143.37 28.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.1 mt -108.85 127.83 65.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.081 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -119.88 93.07 3.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 44.75 73.83 0.14 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.233 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.57 -12.49 58.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.268 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.2 mt -107.76 104.55 53.51 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.907 0.384 . . . . 0.0 110.589 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.59 113.2 2.54 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.017 2.478 . . . . 0.0 111.046 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.658 HG12 HD22 ' A' ' 48' ' ' LEU . 58.5 t -75.7 87.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.124 0.488 . . . . 0.0 110.142 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.0 mt -95.73 40.54 1.11 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.486 0.66 . . . . 0.0 110.185 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.658 HD22 HG12 ' A' ' 46' ' ' VAL . 4.0 mm? -84.86 130.16 34.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.59 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.3 mt -78.06 -34.55 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 0.0 111.019 -173.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.33 -27.7 38.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -86.78 -18.74 30.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.69 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.19 145.28 47.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 0.0 111.074 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -122.94 143.53 49.84 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.955 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.6 124.29 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.065 0.46 . . . . 0.0 110.217 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.311 -175.571 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' A' ' 29' ' ' LEU . 37.6 mt . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.975 0.416 . . . . 0.0 111.647 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.96 150.41 43.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.246 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 58.7 m -69.15 144.03 94.74 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.876 0.369 . . . . 0.0 111.264 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.2 -1.74 11.81 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.594 2.196 . . . . 0.0 113.427 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.681 ' HD3' HG23 ' A' ' 49' ' ' ILE . 41.8 mtmt -104.53 -72.62 0.7 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.88 0.371 . . . . 0.0 111.41 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -90.59 -8.25 50.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.721 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 39.5 tptt 68.55 19.89 8.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.42 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.65 143.45 36.88 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.468 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.0 134.7 44.18 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.276 2.651 . . . . 0.0 112.555 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 31' ' ' ASN . 72.0 mt -92.49 135.94 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.744 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.3 ttm-85 -84.21 130.67 34.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -86.81 112.72 21.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.305 -176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.64 109.16 21.66 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.09 -14.28 61.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.944 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -50.32 -56.39 11.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.812 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -136.7 24.81 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.735 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 59.32 72.72 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 123.881 0.738 . . . . 0.0 110.258 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -129.67 148.79 51.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.421 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CD2' HD13 ' A' ' 11' ' ' LEU . 91.6 mt -115.97 109.88 18.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.43 HG21 ' HB3' ' A' ' 37' ' ' ALA . 44.0 t -112.88 121.84 65.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.265 -175.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.497 ' HB2' HD22 ' A' ' 20' ' ' LEU . 35.6 t30 -94.51 115.31 27.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -77.06 -17.71 58.57 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.889 -170.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -73.71 -26.18 60.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.53 -16.84 14.12 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.176 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 67.08 26.88 8.81 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.764 0.792 . . . . 0.0 110.203 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.8 mt -118.56 149.53 41.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.573 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.43 ' HB3' HG21 ' A' ' 30' ' ' VAL . . . -122.9 141.26 52.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 0.0 111.352 -177.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -104.98 154.98 19.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.545 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -100.21 140.14 34.88 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.938 0.399 . . . . 0.0 111.84 -170.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.419 HD13 ' HG ' ' A' ' 29' ' ' LEU . 66.3 mt -117.99 112.66 39.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -110.41 95.65 5.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 50.28 73.93 0.24 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.856 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 76.46 -6.55 37.22 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.44 177.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.0 mt -108.8 101.75 45.23 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.18 0.49 . . . . 0.0 110.851 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 6.0 Cg_exo -78.77 108.03 2.36 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.991 2.461 . . . . 0.0 111.332 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 t -85.14 91.52 3.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -97.07 78.31 2.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.302 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.91 142.66 49.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.828 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.681 HG23 ' HD3' ' A' ' 15' ' ' LYS . 71.9 mt -59.34 -50.52 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 123.427 0.454 . . . . 0.0 111.374 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.41 -33.74 75.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.992 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.59 0.62 25.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -170.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.24 118.97 12.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.463 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 t -102.17 161.74 13.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -87.88 123.2 32.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.591 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.036 -177.023 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.991 0.424 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.34 150.08 52.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.638 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 42.1 t -66.64 135.13 94.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.309 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 22.9 Cg_exo -66.57 11.15 0.18 Allowed 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.516 2.811 . . . . 0.0 113.711 -178.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -94.94 -79.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.24 55.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 111.133 -176.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 66.43 25.24 10.28 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 167.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -70.04 119.18 8.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.461 176.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 31.8 Cg_exo -59.01 124.97 16.85 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.903 2.402 . . . . 0.0 112.963 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.43 137.91 31.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.049 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -106.74 128.22 54.04 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 24' ' ' GLU . 49.0 t80 -86.3 120.02 27.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.771 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mp -91.55 114.03 26.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.777 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 31.0 mt-10 -68.67 -10.83 58.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.367 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 p -74.36 -56.94 4.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.091 -177.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -112.13 7.31 19.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.456 -174.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.5 45.45 19.55 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.602 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.9 mt -118.45 155.95 29.89 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.3 mt -110.35 110.06 20.72 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.74 125.62 68.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.018 0.437 . . . . 0.0 110.729 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -76.7 115.79 16.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -79.43 -0.43 32.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.247 0.546 . . . . 0.0 111.27 -172.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -102.98 -58.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.22 -7.29 59.63 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.513 -173.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.68 44.26 14.52 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.643 0.735 . . . . 0.0 110.997 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.5 mt -118.4 146.48 44.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.567 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.0 128.85 53.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.11 0.481 . . . . 0.0 111.392 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -104.45 151.52 23.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.251 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -100.03 164.85 11.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.735 0.302 . . . . 0.0 111.057 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.58 125.98 74.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.21 103.68 12.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.669 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.9 t70 51.41 58.57 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.465 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.14 -10.98 51.52 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.593 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -109.93 115.33 55.3 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.106 0.453 . . . . 0.0 110.439 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.04 128.24 22.4 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.498 2.132 . . . . 0.0 111.985 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.582 HG12 HD21 ' A' ' 48' ' ' LEU . 56.5 t -90.52 99.26 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.894 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.62 39.26 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.245 0.545 . . . . 0.0 110.529 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.582 HD21 HG12 ' A' ' 46' ' ' VAL . 4.6 mm? -83.51 123.34 29.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.702 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.7 mt -55.02 -45.35 76.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.521 -174.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -77.47 -24.67 50.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.634 0.254 . . . . 0.0 111.67 -173.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -72.16 -22.2 61.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.881 0.372 . . . . 0.0 111.021 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.37 132.46 47.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.117 0.485 . . . . 0.0 110.748 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -118.48 153.88 33.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.034 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -65.9 133.76 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 . . . . . 0 C--N 1.322 -0.595 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.302 -173.84 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.74 152.53 51.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.3 p -74.35 141.84 77.54 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.11 -7.96 21.97 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.869 2.379 . . . . 0.0 113.398 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HB2' HD13 ' A' ' 34' ' ' LEU . 29.5 mmtp -83.97 -83.58 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.912 0.387 . . . . 0.0 111.327 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.44 -5.76 51.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 3.8 tppp? 60.54 73.33 0.49 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.041 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.12 158.42 22.68 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.29 127.38 21.84 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 29' ' ' LEU . 98.1 mt -80.75 145.11 31.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.849 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -89.64 118.47 29.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CE2' ' HG2' ' A' ' 24' ' ' GLU . 23.9 t80 -91.03 113.61 25.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.29 0.567 . . . . 0.0 111.28 -174.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.412 HD23 HD11 ' A' ' 28' ' ' LEU . 58.6 tp -83.65 103.03 12.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.154 173.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 28.9 mt-10 -72.25 -26.29 61.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.727 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -62.29 -49.48 75.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.12 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.96 18.27 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -170.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 56.24 71.77 0.54 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.329 0.393 . . . . 0.0 111.733 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD11 HD23 ' A' ' 23' ' ' LEU . 91.6 mt -138.64 141.45 39.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.683 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 20' ' ' LEU . 96.0 mt -111.03 109.35 19.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -116.11 134.24 60.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.624 0.249 . . . . 0.0 110.803 -174.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.46 HD22 ' HB2' ' A' ' 33' ' ' ARG . 43.3 t30 -111.84 115.58 29.25 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.927 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.0 -16.6 61.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.661 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HB2' HD22 ' A' ' 31' ' ' ASN . 65.3 mtp85 -70.92 -20.41 62.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.466 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 15' ' ' LYS . 67.2 mt -121.98 -16.94 7.43 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 m120 65.46 28.36 11.57 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.595 0.712 . . . . 0.0 110.255 -173.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.5 mt -118.78 146.84 44.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.005 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.22 140.88 52.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -108.75 145.02 35.79 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.916 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -91.36 139.8 30.38 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.923 0.392 . . . . 0.0 111.704 -171.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.55 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 67.9 mt -102.75 111.14 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 167.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -116.61 104.15 11.1 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.879 -170.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.9 t70 56.65 67.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.353 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.42 -9.56 14.17 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.678 -0.692 . . . . 0.0 114.225 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.3 mt -121.32 114.85 31.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 117.438 0.619 . . . . 0.0 111.369 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 10.1 Cg_exo -72.16 119.09 5.94 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.793 2.329 . . . . 0.0 111.124 173.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.5 95.46 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.054 0.454 . . . . 0.0 110.454 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.56 88.31 7.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.145 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -134.12 162.61 31.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.796 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.0 mt -77.57 -38.38 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.023 0.439 . . . . 0.0 110.247 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -75.21 -18.86 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.155 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -87.73 -7.25 57.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.089 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.16 117.15 8.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -106.88 149.47 27.4 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.913 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -74.58 124.45 26.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 120.776 0.322 . . . . 0.0 110.768 -175.224 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.727 HD12 HD23 ' A' ' 29' ' ' LEU . 69.9 mt . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.988 0.423 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.21 147.47 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.154 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.1 m -76.67 143.95 72.52 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.242 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.17 -24.19 32.65 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.608 2.205 . . . . 0.0 111.694 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.695 ' HD3' HG22 ' A' ' 49' ' ' ILE . 27.1 mmmt -92.43 -66.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.13 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -88.83 -20.21 24.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.266 -172.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 68.4 mttt 61.4 18.24 9.13 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.003 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.38 163.25 46.5 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.659 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.75 124.17 12.78 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.809 2.339 . . . . 0.0 111.952 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 76.4 mt -77.23 136.45 38.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.701 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -89.66 120.79 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -86.93 128.13 35.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.009 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 9.1 mp -102.11 116.89 33.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.925 173.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.95 -29.96 69.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.418 -174.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -59.1 -48.2 82.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -174.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -124.02 9.62 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -171.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 2.4 mp0 57.89 61.09 2.49 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.27 0.557 . . . . 0.0 109.921 -174.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 97.8 mt -117.08 139.13 51.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.791 -175.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.727 HD23 HD12 ' A' ' 11' ' ' LEU . 54.2 mt -110.57 108.69 18.72 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.66 125.05 70.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.56 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -84.12 115.7 22.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -76.39 -11.17 59.85 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.411 -172.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.45 -38.65 21.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.201 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.6 mt -107.56 -15.15 14.67 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.2 m120 67.48 37.15 3.54 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.278 0.561 . . . . 0.0 110.896 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.78 146.54 43.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.137 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.7 139.39 54.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.141 0.496 . . . . 0.0 111.903 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -119.15 140.93 49.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -97.79 148.84 22.97 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.729 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.547 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 59.8 mt -92.2 110.25 22.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 165.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -123.91 120.83 33.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.978 -168.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t0 61.63 28.43 17.61 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.719 0.771 . . . . 0.0 110.87 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.13 0.86 73.39 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.805 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -122.87 117.73 28.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.604 0.24 . . . . 0.0 110.784 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.547 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 16.9 Cg_exo -67.79 118.69 5.78 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.532 2.155 . . . . 0.0 111.046 173.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.37 80.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.33 0.586 . . . . 0.0 110.586 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.12 73.7 4.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.051 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 96.1 mt -121.08 127.01 51.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.695 HG22 ' HD3' ' A' ' 15' ' ' LYS . 78.5 mt -48.69 -59.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.261 -0.882 . . . . 0.0 112.932 -175.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -89.82 7.51 36.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.524 -172.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 48' ' ' LEU . 6.8 tp10 -102.24 -4.68 25.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.24 0.543 . . . . 0.0 109.702 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.28 140.59 57.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.9 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -114.82 149.03 37.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.997 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.1 128.99 37.08 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.174 -175.564 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.517 ' HB3' HD13 ' A' ' 20' ' ' LEU . 97.5 mt . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.48 156.94 47.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.137 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 49.3 t -65.07 141.26 98.28 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.663 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 25.8 Cg_exo -64.36 -21.21 66.86 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.606 2.204 . . . . 0.0 112.94 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' A' ' 15' ' ' LYS . 27.9 mmmt -79.92 -71.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 112.021 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -98.25 -9.84 24.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 -174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 88.1 mttt 61.62 35.17 17.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.727 -176.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.23 141.57 23.26 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.347 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.57 136.35 73.53 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.069 2.513 . . . . 0.0 112.687 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 11' ' ' LEU . 94.0 mt -83.67 133.12 34.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.922 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -84.66 118.78 24.6 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -89.33 114.07 25.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.061 0.458 . . . . 0.0 111.766 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 8.7 mp -90.96 104.15 16.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.455 174.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.27 -46.38 88.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.115 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 m -56.92 -49.7 74.83 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -172.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -107.0 7.63 29.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 55.37 58.53 4.55 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.214 0.53 . . . . 0.0 110.506 -178.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 97.8 mt -121.8 141.58 51.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB3' HD12 ' A' ' 20' ' ' LEU . 95.9 mt -114.68 109.79 18.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.952 175.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -116.96 117.95 57.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.012 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.478 ' HB2' HD22 ' A' ' 20' ' ' LEU . 26.1 t30 -76.74 115.74 16.78 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 174.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.14 -15.63 61.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.579 . . . . 0.0 110.945 -172.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -77.02 -30.25 55.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.728 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.3 mt -114.42 -10.91 12.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.081 0.467 . . . . 0.0 110.104 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 54.37 52.47 12.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.772 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.26 150.09 40.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.884 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.6 128.8 54.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.226 0.536 . . . . 0.0 111.83 -172.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -109.68 140.35 43.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.248 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -93.19 140.13 29.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.134 -175.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -99.2 112.2 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 171.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -126.91 126.73 43.75 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 64.8 13.81 8.73 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.882 0.848 . . . . 0.0 110.75 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.68 7.52 66.56 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.792 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.1 mt -107.86 115.59 58.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HB3' HD13 ' A' ' 29' ' ' LEU . 9.6 Cg_exo -71.94 105.38 1.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.562 2.174 . . . . 0.0 110.929 174.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.52 95.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.71 35.4 1.04 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.124 -176.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 91.1 mt -84.72 120.74 26.75 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.963 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.2 -34.85 65.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.191 0.52 . . . . 0.0 110.596 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.29 -28.57 69.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.18 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 3.8 mm-40 -93.67 -10.0 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.945 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.91 128.9 37.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.238 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 m -113.0 148.22 35.54 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.78 124.32 22.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 . . . . . 0 C--N 1.319 -0.746 0 CA-C-O 121.6 0.714 . . . . 0.0 112.014 -168.147 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.546 HD13 HD12 ' A' ' 47' ' ' LEU . 63.5 mt . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.664 0.269 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.43 173.15 11.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.758 0.313 . . . . 0.0 111.02 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 m -87.6 126.48 61.77 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.19 45.65 1.6 Allowed 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.185 2.59 . . . . 0.0 112.934 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -156.85 -73.52 0.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.569 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -91.56 -19.92 22.24 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt 59.64 48.45 9.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.082 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.16 -177.27 30.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.217 -0.902 . . . . 0.0 112.109 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.03 129.83 13.68 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.749 2.299 . . . . 0.0 113.114 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 29' ' ' LEU . 77.5 mt -88.24 128.5 35.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.897 176.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -89.76 115.99 27.53 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 33.6 t80 -94.11 132.72 38.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.468 . . . . 0.0 111.289 -173.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.54 106.5 15.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.707 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 1.6 mp0 -63.97 -27.34 69.06 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 m -68.91 -34.6 75.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.94 7.29 8.01 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.552 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 5.1 mp0 54.79 53.36 10.61 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.114 0.483 . . . . 0.0 111.276 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -118.94 139.26 51.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.214 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 20' ' ' LEU . 88.6 mt -110.41 108.43 18.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 172.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.95 125.33 69.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-O 120.985 0.421 . . . . 0.0 111.498 -172.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -95.74 114.07 25.77 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 170.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -82.54 -13.51 56.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.402 0.62 . . . . 0.0 110.434 -173.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -79.97 -36.02 36.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.371 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.9 mt -97.59 -15.78 20.33 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.058 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.71 28.97 7.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.548 0.689 . . . . 0.0 109.68 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.3 mt -118.4 140.02 50.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.621 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.98 139.84 53.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.007 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -110.7 138.92 46.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.149 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -100.6 142.75 31.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.919 0.39 . . . . 0.0 111.486 -173.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 62.3 mt -94.67 116.6 36.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 169.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -124.01 123.46 40.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.811 -173.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.4 t70 63.17 20.89 12.55 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.733 0.778 . . . . 0.0 111.348 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.66 -1.94 66.63 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.239 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.9 mt -110.92 116.71 51.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.704 0.288 . . . . 0.0 110.581 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 16.3 Cg_exo -68.63 109.93 2.2 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.53 2.153 . . . . 0.0 111.507 175.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.2 t -80.82 90.55 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.987 0.422 . . . . 0.0 109.987 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.546 HD12 HD13 ' A' ' 11' ' ' LEU . 72.2 mt -102.64 75.0 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.202 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 7.7 mp -120.25 145.85 46.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.123 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 mt -66.47 -46.26 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.837 -172.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -76.62 -32.1 57.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.276 0.56 . . . . 0.0 110.182 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 4.4 mp0 -78.77 -3.4 44.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.162 -175.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.61 127.11 29.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.075 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -104.31 146.23 29.1 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.46 138.82 36.63 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 -175.348 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 121.187 0.518 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.02 163.68 20.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.313 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' HB2' HD22 ' A' ' 20' ' ' LEU . 41.6 t -78.14 130.96 70.68 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.338 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 15.2 Cg_exo -69.84 35.72 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.735 2.957 . . . . 0.0 113.111 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 13' ' ' CYS . 41.3 mttm -120.11 -66.22 1.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.266 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -130.94 21.01 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? 66.42 19.7 10.94 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.608 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -69.04 130.08 24.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.872 177.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 28.3 Cg_exo -62.52 139.56 76.84 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.975 2.45 . . . . 0.0 112.66 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 13' ' ' CYS . 60.0 mt -99.43 152.04 20.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.033 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -85.19 119.61 25.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -86.45 109.11 18.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.359 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 28' ' ' LEU . 92.3 mt -83.71 113.71 21.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.783 175.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -22.27 31.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.277 0.56 . . . . 0.0 111.133 -176.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.91 -57.05 4.34 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.264 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -107.89 3.87 24.76 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 8.5 mp0 52.7 71.89 0.45 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.462 0.648 . . . . 0.0 112.517 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.735 ' HB2' HD11 ' A' ' 23' ' ' LEU . 95.8 mt -133.92 147.48 51.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.661 177.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.44 ' HB3' HD12 ' A' ' 20' ' ' LEU . 88.9 mt -110.68 109.23 19.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.61 125.62 72.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.851 0.357 . . . . 0.0 111.109 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -83.11 114.39 21.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 172.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -84.95 -6.16 59.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.178 0.513 . . . . 0.0 110.753 -172.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -97.31 -35.38 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.648 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.2 mt -102.1 -10.72 19.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.403 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.1 m120 65.69 35.32 7.0 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.412 0.445 . . . . 0.0 111.236 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.4 mt -118.57 144.73 45.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.3 141.72 51.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.014 0.435 . . . . 0.0 111.714 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -117.43 155.01 30.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.109 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -97.69 163.15 12.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.223 0.535 . . . . 0.0 111.501 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.5 mt -121.45 133.86 66.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -121.23 99.48 6.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.631 0.253 . . . . 0.0 110.826 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.9 t70 53.34 59.11 4.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.6 173.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.37 -19.64 34.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.681 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.5 mt -107.59 115.18 59.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 117.118 0.459 . . . . 0.0 110.72 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -68.46 131.86 24.15 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.513 2.142 . . . . 0.0 111.499 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -93.01 100.55 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.121 0.486 . . . . 0.0 110.107 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -98.74 77.56 2.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.232 0.539 . . . . 0.0 110.569 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.75 124.82 49.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.332 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.89 -34.75 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.145 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -78.12 0.71 23.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.21 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -115.59 0.52 13.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.235 0.54 . . . . 0.0 110.064 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.43 109.16 6.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.855 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.5 p -102.43 149.5 24.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.142 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.32 134.79 52.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.11 0.481 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.7 t-105 . . . . . 0 C--N 1.317 -0.847 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.381 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.091 0.472 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.33 147.54 24.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.899 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.32 125.9 92.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -57.31 -38.39 94.95 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.718 2.278 . . . . 0.0 113.035 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -88.92 -54.37 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 111.204 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.5 ' HB2' HD12 ' A' ' 34' ' ' LEU . 12.2 t70 -81.06 -24.47 37.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.886 -172.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt 61.12 30.21 19.28 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 111.019 -177.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.48 -178.99 21.79 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.737 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.0 158.72 45.65 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 122.819 2.346 . . . . 0.0 112.805 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -116.56 136.39 53.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -86.94 122.46 30.82 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -90.92 116.32 28.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.434 -175.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.681 ' O ' ' HA ' ' A' ' 27' ' ' GLN . 3.7 mm? -82.97 136.78 34.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.522 172.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -95.29 -31.11 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -171.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.5 t -90.79 -47.86 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.493 0.663 . . . . 0.0 109.631 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.51 -29.58 52.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.789 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.681 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 38.5 mt-30 51.53 69.3 0.68 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.632 -176.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 39' ' ' ARG . 79.6 mt -133.41 161.27 35.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.345 -1.298 . . . . 0.0 108.321 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.547 ' HG ' HD13 ' A' ' 40' ' ' ILE . 98.3 mt -111.5 110.09 20.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.9 t -116.07 129.21 72.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.625 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -100.36 114.93 28.84 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -78.61 -6.84 56.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.356 -172.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.6 mtp85 -79.06 -31.19 44.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.814 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 16' ' ' ASP . 84.3 mt -104.53 -16.37 15.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.04 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 66.3 28.09 9.96 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 122.037 0.923 . . . . 0.0 109.257 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.67 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 99.0 mt -118.45 144.39 46.01 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.153 -177.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.76 140.63 52.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.282 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -108.2 124.83 50.88 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.532 ' HA ' HD23 ' A' ' 28' ' ' LEU . 7.3 ptm180 -78.44 140.58 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.231 0.539 . . . . 0.0 111.277 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.547 HD13 ' HG ' ' A' ' 29' ' ' LEU . 60.6 mt -101.33 116.87 45.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.352 174.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -94.67 93.66 7.68 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.8 t70 46.48 72.81 0.21 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.803 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.32 -9.03 43.14 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.732 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.8 mt -115.93 104.28 52.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 117.383 0.591 . . . . 0.0 110.931 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 46.3 Cg_endo -69.7 123.31 10.0 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.575 2.183 . . . . 0.0 112.306 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.3 t -85.54 88.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.245 0.545 . . . . 0.0 109.825 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.78 68.74 10.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.785 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.27 121.17 38.09 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.9 mt -58.6 -40.05 77.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.434 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.01 -12.01 61.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.234 -177.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 -4.68 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.95 0.405 . . . . 0.0 110.683 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -69.16 110.83 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.614 -178.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -95.42 161.77 13.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.341 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.67 129.87 35.2 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.836 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 121.025 0.44 . . . . 0.0 110.659 -176.236 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.501 HD13 HD13 ' A' ' 29' ' ' LEU . 81.8 mt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.913 0.387 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.72 169.24 10.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.77 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.8 m -88.64 142.46 30.93 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.109 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.11 -6.13 18.47 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.709 2.272 . . . . 0.0 112.732 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -92.44 -69.77 0.73 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.582 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -120.51 12.26 11.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 110.816 -175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 93.0 mttt 51.36 34.52 11.98 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.818 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.58 166.24 54.09 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.708 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -68.96 143.55 55.12 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 123.221 2.614 . . . . 0.0 112.776 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.511 HD13 HD11 ' A' ' 29' ' ' LEU . 88.1 mt -115.04 130.05 56.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.075 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -93.41 133.57 36.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -92.41 122.4 34.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.133 0.492 . . . . 0.0 111.585 -174.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -105.5 130.33 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.933 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -80.24 -7.49 59.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.084 -173.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 m -51.52 -57.91 7.75 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -135.9 23.3 3.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.513 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 2.3 mp0 61.06 75.49 0.41 Allowed 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.579 0.704 . . . . 0.0 109.171 -170.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.5 mt -121.29 144.42 48.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.797 -174.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 20' ' ' LEU . 95.9 mt -110.8 121.37 45.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.724 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.1 t -109.21 120.63 60.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.171 0.51 . . . . 0.0 110.472 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -78.48 116.21 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.661 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -91.43 25.76 2.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.622 0.725 . . . . 0.0 110.753 -173.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -115.73 -59.25 2.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.148 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -100.35 -6.28 26.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.924 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 64.83 67.22 0.55 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.242 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -135.26 160.97 36.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.525 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB3' ' HB2' ' A' ' 55' ' ' TRP . . . -122.43 137.84 54.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.121 0.486 . . . . 0.0 111.702 -176.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -115.0 145.43 42.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.121 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -100.78 140.71 34.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.387 -173.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.513 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 70.8 mt -106.92 121.72 60.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -92.99 94.49 8.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.657 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.8 t70 58.81 16.63 4.62 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.606 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.98 -15.78 6.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.672 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.8 mp -107.01 114.84 61.06 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 44' ' ' ILE . 17.3 Cg_exo -66.45 128.51 19.38 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.017 2.478 . . . . 0.0 112.488 -177.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.45 84.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.9 mt -90.5 78.04 6.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.823 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 93.8 mt -116.74 139.51 50.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.469 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.8 mt -73.25 -32.9 39.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.031 0.443 . . . . 0.0 110.192 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.48 -26.18 60.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.992 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 7.2 mm-40 -92.78 3.95 54.71 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.262 -178.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.92 106.55 0.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 m -97.95 147.2 24.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.328 -173.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.51 124.35 29.4 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.484 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 56.8 t-105 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.368 -172.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.86 150.74 39.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 15' ' ' LYS . 17.9 t -65.08 125.99 90.35 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.345 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 22.2 Cg_exo -63.67 -15.6 49.71 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.824 2.349 . . . . 0.0 112.671 -177.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 52.3 tptt -83.12 -41.23 18.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.879 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -131.11 -2.82 3.97 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.066 -0.654 . . . . 0.0 112.292 -174.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 67.05 18.36 10.52 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.005 0.431 . . . . 0.0 111.234 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.05 137.43 19.91 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.718 -0.754 . . . . 0.0 111.544 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.24 133.6 50.61 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.65 2.233 . . . . 0.0 112.337 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 87.5 mt -80.26 127.1 31.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.558 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -84.31 126.22 32.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.401 ' HE1' ' HG3' ' A' ' 24' ' ' GLU . 17.0 t80 -86.28 117.64 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.646 -174.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.64 116.39 31.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.382 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HG3' ' HE1' ' A' ' 22' ' ' TYR . 58.5 mp0 -72.64 -15.22 61.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.942 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 m -48.5 -55.38 11.17 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.834 0.349 . . . . 0.0 111.733 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -132.71 19.82 4.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.07 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 56.61 74.15 0.41 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.644 -175.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.0 mt -122.27 147.22 46.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.612 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 97.3 mt -111.17 109.36 19.38 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 173.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -109.75 124.08 66.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.914 0.388 . . . . 0.0 111.665 -172.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -84.37 113.88 21.48 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 171.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -84.47 -10.59 57.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.064 -170.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -73.76 -34.63 64.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -115.46 1.18 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.17 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.6 t30 58.02 44.13 19.98 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.558 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -118.0 145.55 44.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.616 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 55' ' ' TRP . . . -120.99 128.29 52.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.217 0.532 . . . . 0.0 111.124 -176.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -102.51 135.0 44.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.946 -1.024 . . . . 0.0 108.579 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -98.15 140.16 32.88 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.26 0.552 . . . . 0.0 111.874 -171.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.47 HG12 ' HB3' ' A' ' 45' ' ' PRO . 65.2 mt -103.45 111.86 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -96.44 99.76 11.41 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -177.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.0 t0 44.92 55.44 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.026 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.12 -14.84 61.05 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.529 -0.843 . . . . 0.0 113.617 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -107.88 107.92 60.82 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.205 0.503 . . . . 0.0 110.776 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.47 ' HB3' HG12 ' A' ' 40' ' ' ILE . 96.5 Cg_endo -83.71 120.76 2.79 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.792 2.328 . . . . 0.0 112.535 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.9 t -95.06 113.99 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.9 mt -111.43 31.79 5.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.313 0.578 . . . . 0.0 110.891 -174.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 91.9 mt -88.98 135.35 33.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.861 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mp -58.89 -46.68 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -28.26 69.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.67 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 59.2 mm-40 -95.09 3.29 54.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.378 -177.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.19 142.88 27.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.284 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -115.74 150.01 37.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -73.83 132.39 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.482 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 50.9 t-105 . . . . . 0 C--N 1.32 -0.688 0 CA-C-O 121.32 0.581 . . . . 0.0 111.614 -170.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.9 mt . . . . . 0 C--O 1.235 0.317 0 CA-C-O 121.094 0.473 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.55 156.23 42.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.996 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' HD23 ' A' ' 20' ' ' LEU . 38.1 t -81.55 126.63 75.57 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.283 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.71 9.64 0.56 Allowed 'Trans proline' 0 N--CA 1.476 0.447 0 C-N-CA 122.973 2.448 . . . . 0.0 113.286 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -85.18 -42.02 15.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.861 0.362 . . . . 0.0 110.185 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -151.98 12.78 0.59 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.943 0.401 . . . . 0.0 111.389 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.7 tttt 65.48 32.81 9.22 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.8 0.809 . . . . 0.0 110.435 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.73 148.5 21.82 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.349 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.45 143.82 93.87 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.773 2.315 . . . . 0.0 113.026 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 13' ' ' CYS . 95.5 mt -100.04 131.11 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.263 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -95.25 121.55 37.02 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -85.63 127.01 34.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.076 0.465 . . . . 0.0 110.913 -174.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -106.98 112.46 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.856 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.2 -12.66 42.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.973 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -63.17 -48.08 79.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.528 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -131.86 7.45 4.39 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -173.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 62.78 40.84 9.53 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.084 0.469 . . . . 0.0 110.826 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.11 157.97 25.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 84.4 mt -109.9 110.7 21.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.4 177.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.51 120.8 62.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.926 0.394 . . . . 0.0 110.635 -175.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -73.19 119.52 17.55 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.23 -19.47 65.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.916 -171.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -88.64 -52.27 5.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.0 111.11 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.45 -19.87 32.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.876 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t30 66.33 38.11 4.57 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 122.092 0.949 . . . . 0.0 109.732 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -117.73 146.62 43.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.617 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' LEU . . . -122.52 138.24 54.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.359 0.599 . . . . 0.0 111.994 -172.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -107.15 149.38 27.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.62 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 39' ' ' ARG . 40.0 mtt180 -101.0 141.83 33.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.518 -173.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -110.39 134.61 52.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -127.08 95.32 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.869 0.366 . . . . 0.0 110.425 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 51.73 72.53 0.37 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.942 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.72 -14.98 8.47 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.555 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.448 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 65.2 mt -108.36 112.48 61.03 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.958 0.379 . . . . 0.0 110.593 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 44' ' ' ILE . 6.1 Cg_exo -79.23 119.6 4.27 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.983 2.455 . . . . 0.0 111.856 178.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.546 HG11 HD23 ' A' ' 48' ' ' LEU . 65.5 t -77.84 96.88 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.46 38.23 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.268 -173.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD23 HG11 ' A' ' 46' ' ' VAL . 3.6 mm? -81.35 123.65 28.72 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.011 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.8 mt -58.87 -37.65 68.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.86 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.15 -8.04 57.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.167 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 22.5 mm-40 -107.09 4.88 27.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.46 126.69 30.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 m -111.38 148.63 32.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.101 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.84 128.93 34.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.205 -175.556 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.583 HD13 HD13 ' A' ' 29' ' ' LEU . 87.6 mt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.04 149.09 44.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.671 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.631 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 2.9 p -67.1 135.32 93.82 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.825 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 47' ' ' LEU . 36.1 Cg_endo -65.36 -25.96 56.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.899 2.4 . . . . 0.0 113.224 -175.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -90.99 -57.0 2.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.781 0.324 . . . . 0.0 111.616 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.631 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 16.5 t70 -84.86 -27.17 26.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.638 -172.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 tptt 65.04 17.96 11.29 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.216 0.607 . . . . 0.0 110.588 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.64 176.54 36.67 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.145 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.49 140.59 57.98 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.966 2.444 . . . . 0.0 112.639 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 13' ' ' CYS . 88.8 mt -110.35 138.93 46.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.428 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -89.97 124.4 34.71 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.477 ' HD1' ' HG3' ' A' ' 24' ' ' GLU . 31.9 t80 -86.2 109.55 18.98 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -85.57 95.13 9.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 176.564 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' HG3' ' HD1' ' A' ' 22' ' ' TYR . 1.9 mp0 -65.28 -24.53 67.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.432 -171.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -72.03 -30.71 65.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.283 -174.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -132.13 9.11 4.43 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.964 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.453 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 13.0 mp0 56.23 62.22 2.43 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.19 0.519 . . . . 0.0 110.902 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.5 mt -124.99 148.13 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.292 -178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.583 HD13 HD13 ' A' ' 11' ' ' LEU . 95.8 mt -113.98 110.6 20.31 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.0 t -109.52 132.56 57.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.564 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.471 ' HB2' HD22 ' A' ' 20' ' ' LEU . 46.3 t30 -116.76 115.65 25.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.039 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.94 -23.79 67.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.817 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 33' ' ' ARG . 15.1 mtp180 -76.25 -13.69 60.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.017 -178.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.0 mt -121.5 -17.72 7.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.593 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.61 18.3 11.18 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.672 0.749 . . . . 0.0 109.254 -175.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.43 HD21 ' HA ' ' A' ' 54' ' ' GLU . 88.0 mt -118.91 153.79 34.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.416 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.52 141.33 51.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.121 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -104.57 141.54 36.22 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 175.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 30.0 mtm180 -93.55 139.46 30.73 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.964 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.453 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 66.3 mt -104.3 112.59 38.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 170.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -104.67 96.02 6.29 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.402 -174.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 47.89 71.61 0.33 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.952 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.45 -20.46 30.59 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.706 -0.679 . . . . 0.0 113.297 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.9 mt -110.1 107.65 58.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 117.209 0.504 . . . . 0.0 111.211 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.36 109.94 3.01 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.862 2.375 . . . . 0.0 111.101 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG11 ' HG2' ' A' ' 51' ' ' GLU . 34.2 t -79.49 82.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.456 0.646 . . . . 0.0 110.141 -178.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.493 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 94.0 mt -87.36 79.27 8.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.316 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -129.36 141.17 51.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.873 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.9 -39.58 67.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.273 0.558 . . . . 0.0 110.089 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.36 -27.51 67.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.053 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' HG2' HG11 ' A' ' 46' ' ' VAL . 11.8 tp10 -92.77 -9.24 41.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.727 -175.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.47 123.79 22.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 m -105.03 152.65 22.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.203 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' HA ' HD21 ' A' ' 36' ' ' LEU . 37.4 tt0 -76.29 124.48 27.57 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.347 -172.822 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 121.133 0.492 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.93 155.16 28.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.093 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.592 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 27.9 m -63.84 149.51 92.98 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.698 179.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.75 -27.05 26.98 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.248 1.965 . . . . 0.0 113.376 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -103.64 -70.84 0.75 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.657 -176.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.1 -25.43 59.79 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.769 0.319 . . . . 0.0 110.855 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 29.5 mtpt 66.31 27.8 10.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.813 176.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.72 162.56 50.61 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.12 171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.55 118.93 5.84 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.653 2.235 . . . . 0.0 112.222 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.31 142.1 54.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.947 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -85.13 127.42 34.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -91.74 124.41 35.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.213 -175.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mp -107.87 113.84 27.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.295 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -62.24 -30.66 71.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.202 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -49.44 -70.15 0.1 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.248 -172.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -114.93 19.33 15.91 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.423 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 57.78 65.25 1.36 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.998 0.428 . . . . 0.0 110.252 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -128.31 146.8 50.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.205 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.4 mt -112.32 117.12 31.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.272 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -109.63 132.55 57.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -173.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -107.31 122.22 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -62.4 -41.36 98.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.361 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 3.0 mpt_? -72.48 -18.14 61.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -168.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 83.8 mt -121.37 -5.3 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.949 -177.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 59.84 27.53 16.87 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.677 0.751 . . . . 0.0 110.263 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 34' ' ' LEU . 99.6 mt -119.06 157.26 28.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.712 -176.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.32 131.66 54.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.178 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -96.34 136.24 37.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.458 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -90.84 140.1 30.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.08 -168.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.46 111.48 36.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -106.31 96.16 6.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.967 0.413 . . . . 0.0 110.345 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 52.57 67.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.962 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.99 -13.15 39.34 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.645 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.07 107.75 60.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.945 0.373 . . . . 0.0 110.555 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.16 111.24 3.23 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.149 2.566 . . . . 0.0 111.575 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.6 t -86.02 97.99 6.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.88 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -91.01 43.24 1.14 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.195 0.521 . . . . 0.0 110.786 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -97.88 124.24 42.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.053 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.5 -31.63 53.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.997 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.11 -26.64 61.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -91.31 -11.38 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.361 0.6 . . . . 0.0 110.174 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.87 138.57 41.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.381 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.2 t -109.81 161.25 15.63 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.117 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -70.8 124.84 25.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.781 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.834 -176.297 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 111.157 0.058 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m 64.94 -169.87 0.2 Allowed 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.334 0.396 . . . . 0.0 111.092 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.85 -175.57 0.16 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -133.47 86.54 40.11 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.185 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.37 -19.69 49.31 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.856 2.371 . . . . 0.0 112.774 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.92 -45.42 93.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.923 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -78.71 7.74 6.46 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.938 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.9 mt -120.49 -65.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.614 0.245 . . . . 0.0 110.992 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 63.67 -167.56 0.21 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.136 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 65.0 t -107.58 114.91 47.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.402 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 HD11 HD11 ' A' ' 29' ' ' LEU . 86.7 mt -107.63 112.76 25.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.179 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.91 154.45 28.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.494 -177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.51 ' HB2' HD23 ' A' ' 20' ' ' LEU . 36.8 t -67.45 136.75 93.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.792 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 37.4 Cg_exo -61.8 -26.63 79.7 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.878 2.386 . . . . 0.0 113.142 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.915 ' HD3' HG21 ' A' ' 49' ' ' ILE . 54.2 mtmt -100.0 -55.83 2.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.697 0.284 . . . . 0.0 111.539 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.89 -27.29 60.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.998 0.428 . . . . 0.0 110.877 -176.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 41.1 tptt 65.93 10.32 6.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.156 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.96 151.72 20.95 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.567 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.38 129.48 25.48 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.687 2.258 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 13' ' ' CYS . 75.6 mt -81.98 146.57 29.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.9 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -83.85 120.27 25.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -88.63 116.0 26.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.191 -172.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.6 mm? -94.0 112.51 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.14 -28.64 64.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.726 -173.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 m -65.83 -38.81 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -172.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.5 13.58 4.99 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.748 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.541 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 10.9 mp0 52.49 65.16 1.59 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.212 0.529 . . . . 0.0 111.541 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.2 mt -118.61 138.2 52.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.372 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.438 HD11 HD11 ' A' ' 11' ' ' LEU . 88.8 mt -112.64 108.82 18.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.05 129.93 69.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.19 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -87.64 115.3 24.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 171.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -80.04 -7.08 58.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.35 0.595 . . . . 0.0 111.509 -169.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -99.22 -36.7 9.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.69 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -93.06 -18.24 22.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.9 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.0 m120 67.2 35.84 4.31 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.603 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.2 mt -118.27 147.25 43.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.826 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.7 141.66 51.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.156 0.503 . . . . 0.0 111.714 -174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -111.99 138.25 48.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.892 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -98.06 139.99 33.06 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.18 0.515 . . . . 0.0 111.465 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.541 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 54.6 mt -95.15 111.72 26.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 169.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -108.92 101.73 10.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 -170.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 60.65 45.02 10.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.884 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.38 -16.25 60.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.783 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 mm -108.31 108.42 61.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.745 0.273 . . . . 0.0 110.63 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.532 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 5.1 Cg_exo -77.28 117.53 4.4 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.229 2.619 . . . . 0.0 111.101 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 51' ' ' GLU . 10.8 t -84.83 87.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.266 0.555 . . . . 0.0 110.437 -177.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -95.14 96.62 9.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.451 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 51' ' ' GLU . 95.2 mt -131.97 170.64 14.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.159 178.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.915 HG21 ' HD3' ' A' ' 15' ' ' LYS . 46.8 mt -70.27 -41.61 78.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.462 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -114.67 5.72 15.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.155 0.502 . . . . 0.0 111.392 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 46' ' ' VAL . 9.8 tp10 -90.73 8.17 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.563 0.697 . . . . 0.0 110.024 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.02 128.69 34.35 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.859 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 t -100.67 155.99 17.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.015 0.436 . . . . 0.0 110.553 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.23 133.34 46.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.309 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -117.52 170.27 8.87 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.3 m -59.53 112.44 5.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.59 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -91.43 -159.46 0.08 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.077 2.518 . . . . 0.0 112.474 -176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -72.45 156.12 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.744 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -74.24 164.29 26.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 0.0 110.496 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 99.0 mt -100.53 -178.56 3.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.568 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.398 -178.109 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -106.72 110.12 22.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 66.54 108.94 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.763 174.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -134.53 88.11 30.12 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.098 175.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.53 -8.58 19.55 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.921 2.414 . . . . 0.0 112.306 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -74.74 -45.83 41.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.091 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.95 -29.88 67.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.208 175.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.2 mt -75.55 -44.77 41.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.19 -177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 62.44 -172.36 0.16 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.108 0.48 . . . . 0.0 110.394 -176.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.1 t -107.1 94.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 172.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.64 117.91 18.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.738 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.26 147.19 38.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.583 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.633 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 12.2 m -71.38 152.84 94.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.803 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.633 ' HG3' ' HB3' ' A' ' 47' ' ' LEU . 3.0 Cg_exo -76.4 -3.79 14.24 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.726 2.284 . . . . 0.0 112.027 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -86.18 -75.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.287 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -106.54 0.3 24.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.276 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 43.5 tttp 59.0 33.21 22.9 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.266 -175.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.73 155.28 29.02 Favored Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.679 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.42 130.56 34.3 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.071 2.514 . . . . 0.0 112.824 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.76 HD11 HD12 ' A' ' 29' ' ' LEU . 32.4 mt -79.3 134.52 36.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.974 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -84.69 110.34 18.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -87.2 119.04 27.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.576 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.6 mm? -89.29 121.35 31.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 172.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.34 -19.63 56.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 m -58.31 -63.88 1.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.089 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -126.29 24.71 6.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.173 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 54.49 72.79 0.44 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.4 mt -118.71 138.75 52.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.112 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.76 HD12 HD11 ' A' ' 20' ' ' LEU . 96.5 mt -114.25 110.41 19.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.92 129.82 70.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.916 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -81.28 116.4 21.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 174.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.97 1.24 24.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.899 0.38 . . . . 0.0 111.473 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -102.83 -47.21 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.86 0.362 . . . . 0.0 111.268 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -101.06 -7.36 23.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.55 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 65.35 47.08 2.42 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.617 0.722 . . . . 0.0 110.119 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.9 mt -117.7 149.84 40.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.9 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.89 140.5 52.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.083 0.468 . . . . 0.0 111.336 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -119.34 146.33 45.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.457 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 39' ' ' ARG . 47.9 mtt180 -96.41 142.3 28.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.005 0.431 . . . . 0.0 110.882 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.45 HD11 ' HG ' ' A' ' 29' ' ' LEU . 67.0 mt -105.18 112.67 39.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.489 174.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -91.5 93.93 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.064 0.459 . . . . 0.0 110.76 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 59.77 16.23 5.42 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.204 174.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.13 -6.82 7.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.673 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -107.95 112.25 61.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.693 0.283 . . . . 0.0 110.573 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.54 118.14 5.5 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.586 2.191 . . . . 0.0 111.601 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.6 t -77.63 91.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.043 0.449 . . . . 0.0 110.269 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.633 ' HB3' ' HG3' ' A' ' 14' ' ' PRO . 94.4 mt -95.33 81.45 3.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.495 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.511 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 96.0 mt -128.87 149.91 50.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.617 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.8 mt -73.88 -40.84 53.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.823 0.344 . . . . 0.0 111.71 -174.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -82.49 -25.83 33.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.871 0.367 . . . . 0.0 111.132 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 4.3 mp0 -78.58 -15.21 58.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.792 0.329 . . . . 0.0 111.073 177.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.87 113.72 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.101 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.6 m -105.19 152.03 23.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.465 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.86 125.12 28.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.836 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.445 ' HA ' ' CE3' ' A' ' 55' ' ' TRP . 3.4 t-105 -83.34 -168.34 2.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 m -36.89 128.57 0.74 Allowed Pre-proline 0 C--N 1.327 -0.4 0 C-N-CA 124.009 0.923 . . . . 0.0 112.79 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.16 153.31 21.83 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.248 2.632 . . . . 0.0 112.567 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -84.61 65.72 9.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.1 p30 51.23 165.64 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.533 1.533 . . . . 0.0 114.956 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.5 tp 49.94 48.18 22.19 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.433 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.85 0.834 . . . . 0.0 111.827 -173.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 120.572 0.225 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -115.1 156.91 24.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.819 0.342 . . . . 0.0 110.543 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.39 124.34 36.38 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -121.43 88.82 46.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.668 0.27 . . . . 0.0 110.326 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.53 -11.5 30.75 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.849 2.366 . . . . 0.0 113.019 -175.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -83.52 -44.35 14.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.8 -17.03 64.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.124 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -78.05 -41.58 35.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 56.13 -164.1 0.15 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.913 -178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.83 107.59 19.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.7 mt -110.26 105.57 14.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.046 0.45 . . . . 0.0 110.66 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.76 144.41 50.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.604 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -72.08 123.07 88.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.042 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD2' ' OH ' ' A' ' 38' ' ' TYR . 52.3 Cg_exo -57.1 -10.65 6.29 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 123.385 2.723 . . . . 0.0 113.856 -177.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -79.64 -67.41 0.76 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.727 0.299 . . . . 0.0 111.234 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.66 4.28 14.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 111.707 -171.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 69.38 15.53 8.4 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.865 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -71.03 142.49 34.61 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.179 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 39.0 Cg_exo -61.15 141.28 93.12 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.137 2.558 . . . . 0.0 112.602 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 31' ' ' ASN . 91.4 mt -94.68 144.63 25.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.28 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -86.85 126.53 34.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -89.16 101.76 14.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.858 0.361 . . . . 0.0 110.768 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mp -91.05 107.02 18.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.319 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.47 -9.22 58.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.51 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p -76.13 -62.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.472 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.94 13.48 30.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.291 -175.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 55.66 55.03 7.58 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.554 0.534 . . . . 0.0 110.218 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -118.24 140.59 49.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.169 -175.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.96 108.33 18.05 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 169.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -114.81 124.92 71.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.068 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.484 ' HB2' HD23 ' A' ' 20' ' ' LEU . 34.3 t30 -93.16 114.72 27.3 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.22 -13.44 60.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.131 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -78.05 -29.22 49.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.2 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.29 -1.98 8.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 60.66 38.36 18.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.751 0.31 . . . . 0.0 110.74 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD12 ' HB1' ' A' ' 52' ' ' ALA . 99.0 mt -117.75 133.61 55.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.394 -177.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.12 139.24 53.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.641 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.594 ' HH ' ' HB3' ' A' ' 52' ' ' ALA . 56.2 m-85 -120.19 152.12 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.322 -0.854 . . . . 0.0 108.96 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -101.54 145.31 29.19 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.459 0.647 . . . . 0.0 111.907 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 60.9 mt -95.84 112.55 28.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.57 171.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -109.76 114.86 28.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.723 0.297 . . . . 0.0 110.836 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.3 t70 59.31 36.46 23.54 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.913 0.863 . . . . 0.0 110.537 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.63 -0.46 89.21 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.555 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.5 mt -107.63 110.85 62.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 40.3 Cg_endo -68.79 111.43 2.61 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.171 1.914 . . . . 0.0 111.321 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' HG3' ' A' ' 51' ' ' GLU . 42.0 t -78.75 89.36 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.262 0.553 . . . . 0.0 110.446 -177.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.9 mt -100.08 81.32 2.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.444 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 89.1 mt -118.1 152.9 34.69 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 mt -56.63 -49.01 79.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.869 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.28 13.22 12.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.934 0.397 . . . . 0.0 111.685 -175.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HG3' HG12 ' A' ' 46' ' ' VAL . 66.3 mm-40 -93.95 -8.87 38.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 173.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.594 ' HB3' ' HH ' ' A' ' 38' ' ' TYR . . . -70.17 98.37 1.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.893 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 p -94.32 143.37 26.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.005 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.15 123.96 26.19 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -118.22 173.59 6.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -172.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.8 m -57.24 126.67 74.77 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.831 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.89 128.77 26.53 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.468 2.112 . . . . 0.0 111.783 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -64.96 118.24 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.692 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -75.24 -9.74 58.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.466 0.65 . . . . 0.0 111.302 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.12 76.43 10.22 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.984 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t 178.26 164.2 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.93 138.35 58.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -118.59 88.15 33.64 Favored Pre-proline 0 C--N 1.322 -0.61 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.525 -170.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.99 -3.79 13.91 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.537 2.158 . . . . 0.0 112.388 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -84.34 -26.2 28.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.268 0.556 . . . . 0.0 109.547 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.0 mt -83.99 5.36 25.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.729 172.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.2 mt -117.06 -36.61 3.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.971 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 66.68 -172.76 0.19 Allowed 'General case' 0 C--O 1.237 0.408 0 O-C-N 123.513 0.508 . . . . 0.0 111.144 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.0 t -82.99 96.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt -88.39 104.17 16.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.41 145.87 39.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.345 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 6.5 p -76.08 129.95 79.32 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -57.14 -32.0 92.09 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.041 2.494 . . . . 0.0 112.781 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HD2' HG22 ' A' ' 49' ' ' ILE . 52.5 mtpt -77.06 -62.21 1.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.0 0.429 . . . . 0.0 111.713 -176.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.558 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 29.8 t70 -88.57 -21.95 23.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.694 -170.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? 67.74 20.16 9.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.14 0.495 . . . . 0.0 110.926 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.48 162.91 24.77 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.737 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.03 137.35 52.19 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.03 2.487 . . . . 0.0 112.465 -177.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD23 ' HB3' ' A' ' 13' ' ' CYS . 85.7 mt -89.75 134.8 33.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.797 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -84.8 129.0 34.88 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 36.7 t80 -95.02 117.89 30.91 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.352 -173.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -105.53 98.86 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.012 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.496 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 4.6 mp0 -62.76 -38.53 90.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 m -51.77 -38.58 56.07 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -173.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -132.71 11.5 4.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.276 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.53 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 32.2 mm-40 56.94 62.46 2.24 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.256 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.25 147.79 52.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.021 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -118.42 110.51 17.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.849 174.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.7 t -118.72 134.09 63.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.909 -174.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -104.81 124.99 50.4 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.18 -43.23 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.306 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -87.73 15.11 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.991 -174.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 16' ' ' ASP . 36.2 mt -124.06 -30.66 3.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.263 172.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 m120 65.02 26.78 12.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.449 0.642 . . . . 0.0 109.797 -173.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 52' ' ' ALA . 88.5 mt -118.31 147.01 43.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.251 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.25 138.05 54.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.829 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -109.54 141.47 41.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -90.67 144.2 25.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.251 0.548 . . . . 0.0 111.563 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.53 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 69.1 mt -107.69 112.37 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.037 175.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -94.91 107.07 19.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.744 0.307 . . . . 0.0 110.88 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.5 t70 62.21 19.61 11.09 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.808 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.69 -2.34 34.14 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.249 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.22 107.69 60.8 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.63 112.49 3.57 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.088 2.525 . . . . 0.0 111.829 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.19 97.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.098 0.475 . . . . 0.0 109.892 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.7 mt -93.51 89.35 6.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.71 154.36 50.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.91 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.427 HG22 ' HD2' ' A' ' 15' ' ' LYS . 42.3 mt -76.49 -18.81 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.986 0.898 . . . . 0.0 108.948 177.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.14 -18.98 61.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.376 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -104.24 13.22 32.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.639 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -79.14 110.35 14.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.985 0.422 . . . . 0.0 111.526 -175.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.3 p -112.95 141.58 46.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.432 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.7 131.35 38.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -135.97 123.51 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 50.3 m 71.14 107.37 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 169.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -95.04 112.97 0.16 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.802 3.002 . . . . 0.0 111.452 169.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -84.23 151.81 24.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.571 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -59.49 112.21 1.69 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 111.301 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.7 mt -99.92 173.91 6.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.03 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 120.936 0.398 . . . . 0.0 110.999 -176.655 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 m -77.99 95.74 4.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.208 -175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 tp -82.78 124.1 29.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -120.6 93.14 48.34 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.579 -175.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.04 13.07 0.03 OUTLIER 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 124.324 3.35 . . . . 0.0 115.846 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -70.93 -18.27 62.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.412 0.625 . . . . 0.0 109.613 170.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -89.99 5.28 47.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.527 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.9 mt -122.23 136.61 54.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.205 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -155.85 155.09 32.33 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.96 93.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.273 0.558 . . . . 0.0 109.518 174.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -101.49 135.05 43.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.686 -175.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.521 ' HB2' ' HA ' ' A' ' 17' ' ' LYS . . . -133.37 155.3 49.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.066 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.778 ' HG ' ' HE2' ' A' ' 38' ' ' TYR . 33.5 m -72.5 145.53 87.73 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.58 16.86 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 123.045 2.497 . . . . 0.0 113.079 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 13' ' ' CYS . 34.6 ttmt -135.99 -64.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.262 0.553 . . . . 0.0 109.586 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.81 -38.07 73.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.342 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.521 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 29.2 mtpp 62.26 21.24 12.35 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.865 0.364 . . . . 0.0 111.429 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.69 -169.26 35.45 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.382 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -75.62 134.68 17.09 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.854 2.369 . . . . 0.0 113.42 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD23 ' SG ' ' A' ' 13' ' ' CYS . 74.8 mt -102.69 138.04 40.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.356 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.9 mtm105 -84.99 125.25 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -90.86 105.63 17.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.594 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.69 109.36 16.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.76 -37.77 62.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.462 0.649 . . . . 0.0 110.78 -175.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -71.42 -32.91 68.92 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.906 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -105.73 -16.0 14.8 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 59.61 49.71 8.09 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.27 0.557 . . . . 0.0 112.009 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.4 mt -136.3 156.76 48.19 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.856 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 59.3 mt -110.37 110.2 20.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.829 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 37' ' ' ALA . 44.3 t -113.36 127.27 70.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.807 0.336 . . . . 0.0 111.427 -173.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -92.96 117.53 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -62.08 -26.72 68.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.37 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -89.85 -9.22 49.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.537 -175.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.6 mt -117.44 -20.46 9.07 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.7 m120 63.64 24.53 13.97 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.313 0.578 . . . . 0.0 110.799 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.96 147.93 43.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.464 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' A' ' 29' ' ' LEU . . . -122.25 136.37 54.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.602 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.778 ' HE2' ' HG ' ' A' ' 13' ' ' CYS . 98.5 m-85 -99.61 149.58 23.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.169 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -82.32 140.05 33.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.822 -173.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.9 mt -103.71 111.17 32.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 168.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -103.35 98.65 8.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -171.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 55.46 31.89 17.85 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.28 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.03 -11.85 40.86 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.941 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.9 mt -108.42 116.34 56.57 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 122.466 -0.432 . . . . 0.0 110.52 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.48 120.25 6.81 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.606 2.204 . . . . 0.0 112.401 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.3 t -93.41 99.19 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.063 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.3 mt -94.13 77.35 4.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.2 mt -134.24 144.15 48.23 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.17 -41.83 84.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.812 0.339 . . . . 0.0 111.757 -173.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.93 -17.07 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.697 0.284 . . . . 0.0 110.978 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -90.76 -7.0 53.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.04 165.79 22.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.347 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -128.77 153.23 47.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.451 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -80.62 128.14 33.27 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -141.11 127.76 20.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.705 0.288 . . . . 0.0 110.496 -175.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.3 m 61.65 83.64 0.2 Allowed Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.945 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.89 174.97 7.05 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.235 2.624 . . . . 0.0 111.163 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -91.16 135.19 33.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.224 0.535 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -89.9 175.01 7.37 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.08 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -74.85 7.15 3.34 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.316 0.579 . . . . 0.0 111.002 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.536 176.283 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -145.53 139.92 27.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.738 0.304 . . . . 0.0 110.748 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.56 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 8.0 tt -93.63 142.7 27.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 176.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.31 89.38 8.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.754 0.312 . . . . 0.0 111.589 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 3' ' ' LEU . 4.1 Cg_exo -74.95 -1.52 11.31 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.886 2.39 . . . . 0.0 112.154 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -84.58 -42.82 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.297 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -71.27 -26.89 63.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.703 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -85.12 -53.02 5.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.476 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.51 ' HG2' ' H ' ' A' ' 10' ' ' VAL . 9.4 tt0 60.22 -164.96 0.22 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.547 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 43.3 t -93.05 103.35 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.832 0.348 . . . . 0.0 111.457 -174.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.11 110.91 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.28 167.78 21.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.71 0.29 . . . . 0.0 111.444 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.623 ' SG ' HD23 ' A' ' 20' ' ' LEU . 75.9 m -86.47 157.73 55.39 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.995 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.11 14.89 2.23 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.637 2.225 . . . . 0.0 113.24 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -120.71 -69.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.665 0.269 . . . . 0.0 111.057 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -89.27 -23.31 22.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.195 0.521 . . . . 0.0 109.88 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 68.4 tttt 61.8 35.5 16.64 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.683 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA3' ' NH1' ' A' ' 33' ' ' ARG . . . -89.51 164.02 31.53 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.26 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.32 120.14 7.38 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.112 2.541 . . . . 0.0 112.584 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.623 HD23 ' SG ' ' A' ' 13' ' ' CYS . 51.7 mt -75.34 143.36 42.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.261 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -84.63 124.32 31.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -91.96 122.07 34.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.05 0.453 . . . . 0.0 111.04 -171.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.7 mm? -96.03 109.42 21.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.669 173.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.56 -30.56 71.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.796 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 p -51.58 -63.55 1.1 Allowed 'General case' 0 C--O 1.237 0.414 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -124.28 21.58 8.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -176.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 53.57 72.61 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.473 0.654 . . . . 0.0 110.631 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 92.6 mt -120.23 148.99 42.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.717 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB3' HD12 ' A' ' 20' ' ' LEU . 95.6 mt -122.33 109.81 14.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.286 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -111.18 128.59 67.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.84 0.352 . . . . 0.0 110.578 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -92.41 116.72 29.23 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -81.57 1.66 32.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.082 0.467 . . . . 0.0 111.003 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.447 ' NH1' ' HA3' ' A' ' 18' ' ' GLY . 91.7 mtt180 -89.92 -63.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.177 0.513 . . . . 0.0 110.106 172.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.91 -8.86 58.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.153 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.47 30.52 15.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.449 0.643 . . . . 0.0 109.961 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 HD13 ' HB2' ' A' ' 52' ' ' ALA . 98.3 mt -118.05 150.04 39.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.317 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.85 141.23 52.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.444 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -116.69 147.21 42.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.157 174.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -101.42 140.93 35.04 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.735 0.303 . . . . 0.0 111.221 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.463 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 67.4 mt -94.6 113.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -99.62 100.15 11.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.6 t70 47.01 64.9 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.56 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.63 -17.99 41.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.667 176.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.4 mt -109.75 109.86 59.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 117.273 0.536 . . . . 0.0 111.345 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 45.2 Cg_endo -70.52 109.64 2.51 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.414 2.076 . . . . 0.0 111.48 175.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.8 t -78.06 99.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.658 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.0 mt -101.13 75.66 1.67 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.208 0.528 . . . . 0.0 110.765 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.4 mt -123.14 138.28 54.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.971 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.98 -34.71 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 110.554 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -69.56 -27.39 65.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.906 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -84.74 -17.54 38.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.757 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' HB2' HD13 ' A' ' 36' ' ' LEU . . . -63.67 109.48 1.7 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.677 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -117.19 151.44 36.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.307 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -73.63 134.02 43.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -141.25 140.17 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.561 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.5 m 67.34 92.82 0.06 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 121.613 0.72 . . . . 0.0 112.352 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -82.58 143.96 12.38 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 123.202 2.601 . . . . 0.0 111.224 171.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -99.89 136.64 39.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.856 0.36 . . . . 0.0 110.929 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -96.16 109.77 22.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.8 119.01 11.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.808 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--N 1.328 -0.334 0 O-C-N 124.232 0.957 . . . . 0.0 112.359 -172.391 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtm . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.414 0.149 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m 60.36 26.05 15.58 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.274 0.559 . . . . 0.0 110.565 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.472 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 54.6 tp -143.4 155.79 44.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.153 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -114.09 89.28 16.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.554 0.216 . . . . 0.0 111.433 -176.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 3' ' ' LEU . 11.7 Cg_exo -70.97 2.09 4.56 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.97 2.447 . . . . 0.0 112.796 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -86.46 -47.68 9.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.43 -28.99 68.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.734 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.3 mt -82.03 104.8 12.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.139 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -119.75 177.5 4.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.164 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.3 t -73.0 100.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.178 0.513 . . . . 0.0 109.845 176.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.621 HD13 HD12 ' A' ' 29' ' ' LEU . 78.3 mt -111.19 123.27 49.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.696 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.97 155.25 49.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.877 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.26 132.83 92.72 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.646 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.96 -31.3 91.3 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 122.727 2.285 . . . . 0.0 112.869 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -91.7 -53.23 4.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.758 0.313 . . . . 0.0 111.09 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -84.95 -24.07 28.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.165 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 66.0 13.82 9.27 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.788 0.435 . . . . 0.0 111.382 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.15 147.92 26.43 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.958 177.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.69 126.0 18.01 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.912 2.408 . . . . 0.0 112.036 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 82.4 mt -84.35 140.21 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.254 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -84.95 124.26 31.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -86.25 111.14 20.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.696 -173.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.6 100.37 13.19 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -65.92 -42.09 90.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.953 -172.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -60.77 -32.88 72.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.311 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -114.61 -1.43 13.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -173.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 60.82 40.87 15.4 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.395 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -118.01 144.25 45.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.004 0.43 . . . . 0.0 111.539 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD12 HD13 ' A' ' 11' ' ' LEU . 95.4 mt -110.91 110.95 21.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.408 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -110.18 125.84 67.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.916 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.488 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . 38.0 t30 -97.66 115.75 28.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.98 -15.24 62.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.334 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.15 -28.08 57.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.321 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -120.49 -7.06 9.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 60.92 33.1 19.97 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.449 0.642 . . . . 0.0 110.134 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.5 mt -117.98 147.37 43.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.384 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.83 135.89 54.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.288 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -109.35 140.57 42.88 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -97.42 143.37 28.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.1 mt -108.85 127.83 65.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.081 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -119.88 93.07 3.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 44.75 73.83 0.14 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.233 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.57 -12.49 58.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.268 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.2 mt -107.76 104.55 53.51 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.907 0.384 . . . . 0.0 110.589 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.59 113.2 2.54 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.017 2.478 . . . . 0.0 111.046 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.658 HG12 HD22 ' A' ' 48' ' ' LEU . 58.5 t -75.7 87.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.124 0.488 . . . . 0.0 110.142 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.0 mt -95.73 40.54 1.11 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.486 0.66 . . . . 0.0 110.185 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.658 HD22 HG12 ' A' ' 46' ' ' VAL . 4.0 mm? -84.86 130.16 34.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.59 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.3 mt -78.06 -34.55 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 0.0 111.019 -173.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.33 -27.7 38.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -86.78 -18.74 30.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.69 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.19 145.28 47.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 0.0 111.074 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -122.94 143.53 49.84 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.955 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.6 124.29 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.065 0.46 . . . . 0.0 110.217 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -111.31 122.72 48.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.311 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.0 m 56.99 87.96 0.13 Allowed Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 123.921 0.763 . . . . 0.0 111.197 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.17 89.67 0.25 Allowed 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.503 2.135 . . . . 0.0 111.866 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -71.04 -37.71 72.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.841 0.829 . . . . 0.0 109.765 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -113.47 145.94 40.37 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.454 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -100.22 171.33 7.86 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 121.74 0.781 . . . . 0.0 111.455 -178.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.755 0.312 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 m -91.64 125.44 36.37 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 59.67 -166.95 0.17 Allowed 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.456 0.472 . . . . 0.0 110.636 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -115.72 87.77 18.76 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.914 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -62.24 -10.31 17.96 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.949 2.433 . . . . 0.0 112.786 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -74.09 -26.79 60.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.434 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.8 mt -79.99 -8.8 59.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.0 111.059 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.1 109.36 21.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.006 0.432 . . . . 0.0 111.271 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 24.7 mm-40 -115.67 -174.96 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.974 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -74.13 106.4 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' A' ' 29' ' ' LEU . 37.6 mt -105.31 104.81 14.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.647 -172.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.96 150.41 43.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.246 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 58.7 m -69.15 144.03 94.74 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.876 0.369 . . . . 0.0 111.264 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.2 -1.74 11.81 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.594 2.196 . . . . 0.0 113.427 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.681 ' HD3' HG23 ' A' ' 49' ' ' ILE . 41.8 mtmt -104.53 -72.62 0.7 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.88 0.371 . . . . 0.0 111.41 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -90.59 -8.25 50.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.721 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 39.5 tptt 68.55 19.89 8.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.42 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.65 143.45 36.88 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.468 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.0 134.7 44.18 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.276 2.651 . . . . 0.0 112.555 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 31' ' ' ASN . 72.0 mt -92.49 135.94 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.744 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.3 ttm-85 -84.21 130.67 34.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -86.81 112.72 21.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.305 -176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.64 109.16 21.66 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.09 -14.28 61.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.944 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -50.32 -56.39 11.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.812 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -136.7 24.81 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.735 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 59.32 72.72 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 123.881 0.738 . . . . 0.0 110.258 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -129.67 148.79 51.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.421 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CD2' HD13 ' A' ' 11' ' ' LEU . 91.6 mt -115.97 109.88 18.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.43 HG21 ' HB3' ' A' ' 37' ' ' ALA . 44.0 t -112.88 121.84 65.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.265 -175.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.497 ' HB2' HD22 ' A' ' 20' ' ' LEU . 35.6 t30 -94.51 115.31 27.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -77.06 -17.71 58.57 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.889 -170.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -73.71 -26.18 60.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.53 -16.84 14.12 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.176 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 67.08 26.88 8.81 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.764 0.792 . . . . 0.0 110.203 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.8 mt -118.56 149.53 41.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.573 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.43 ' HB3' HG21 ' A' ' 30' ' ' VAL . . . -122.9 141.26 52.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 0.0 111.352 -177.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -104.98 154.98 19.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.545 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -100.21 140.14 34.88 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.938 0.399 . . . . 0.0 111.84 -170.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.419 HD13 ' HG ' ' A' ' 29' ' ' LEU . 66.3 mt -117.99 112.66 39.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -110.41 95.65 5.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 50.28 73.93 0.24 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.856 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 76.46 -6.55 37.22 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.44 177.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.0 mt -108.8 101.75 45.23 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.18 0.49 . . . . 0.0 110.851 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 6.0 Cg_exo -78.77 108.03 2.36 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.991 2.461 . . . . 0.0 111.332 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 t -85.14 91.52 3.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -97.07 78.31 2.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.302 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.91 142.66 49.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.828 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.681 HG23 ' HD3' ' A' ' 15' ' ' LYS . 71.9 mt -59.34 -50.52 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 123.427 0.454 . . . . 0.0 111.374 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.41 -33.74 75.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.992 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.59 0.62 25.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -170.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.24 118.97 12.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.463 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 t -102.17 161.74 13.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -87.88 123.2 32.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.591 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 -136.17 129.97 32.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.036 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.0 t -142.52 135.36 13.83 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-O 120.965 0.412 . . . . 0.0 110.478 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.6 171.95 14.4 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.695 2.264 . . . . 0.0 111.321 174.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 63.89 96.94 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.566 0.541 . . . . 0.0 110.678 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -84.39 95.15 8.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.044 0.449 . . . . 0.0 110.643 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.53 161.9 24.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.137 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 C--N 1.323 -0.547 0 CA-C-O 121.196 0.522 . . . . 0.0 111.32 -175.838 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m 75.04 138.76 0.06 Allowed 'General case' 0 C--O 1.238 0.459 0 O-C-N 123.862 0.726 . . . . 0.0 112.422 173.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 tp -166.04 169.57 14.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.443 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.28 87.95 53.36 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 110.504 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.74 -6.78 19.41 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.892 2.394 . . . . 0.0 113.19 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.34 -41.64 98.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.01 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.35 -18.37 60.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.551 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.7 mt -87.83 -46.4 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.228 -171.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 61.49 -164.61 0.24 Allowed 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.199 0.312 . . . . 0.0 110.638 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.78 106.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.035 0.445 . . . . 0.0 110.025 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -89.44 104.25 16.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.779 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.34 150.08 52.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.638 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 42.1 t -66.64 135.13 94.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.309 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 22.9 Cg_exo -66.57 11.15 0.18 Allowed 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.516 2.811 . . . . 0.0 113.711 -178.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -94.94 -79.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.24 55.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 111.133 -176.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 66.43 25.24 10.28 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 167.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -70.04 119.18 8.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.461 176.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 31.8 Cg_exo -59.01 124.97 16.85 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.903 2.402 . . . . 0.0 112.963 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.43 137.91 31.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.049 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -106.74 128.22 54.04 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.471 ' CE2' ' HG2' ' A' ' 24' ' ' GLU . 49.0 t80 -86.3 120.02 27.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.771 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mp -91.55 114.03 26.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.777 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 31.0 mt-10 -68.67 -10.83 58.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.367 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 p -74.36 -56.94 4.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.091 -177.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -112.13 7.31 19.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.456 -174.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.5 45.45 19.55 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.602 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.9 mt -118.45 155.95 29.89 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.3 mt -110.35 110.06 20.72 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.74 125.62 68.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.018 0.437 . . . . 0.0 110.729 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -76.7 115.79 16.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -79.43 -0.43 32.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.247 0.546 . . . . 0.0 111.27 -172.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -102.98 -58.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.22 -7.29 59.63 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.513 -173.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.68 44.26 14.52 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.643 0.735 . . . . 0.0 110.997 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.5 mt -118.4 146.48 44.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.567 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.0 128.85 53.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.11 0.481 . . . . 0.0 111.392 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -104.45 151.52 23.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.251 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -100.03 164.85 11.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.735 0.302 . . . . 0.0 111.057 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.58 125.98 74.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.21 103.68 12.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.669 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.9 t70 51.41 58.57 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.465 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.14 -10.98 51.52 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.593 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -109.93 115.33 55.3 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.106 0.453 . . . . 0.0 110.439 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.04 128.24 22.4 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.498 2.132 . . . . 0.0 111.985 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.582 HG12 HD21 ' A' ' 48' ' ' LEU . 56.5 t -90.52 99.26 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.894 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.62 39.26 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.245 0.545 . . . . 0.0 110.529 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.582 HD21 HG12 ' A' ' 46' ' ' VAL . 4.6 mm? -83.51 123.34 29.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.702 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.7 mt -55.02 -45.35 76.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.521 -174.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -77.47 -24.67 50.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.634 0.254 . . . . 0.0 111.67 -173.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -72.16 -22.2 61.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.881 0.372 . . . . 0.0 111.021 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.37 132.46 47.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.117 0.485 . . . . 0.0 110.748 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -118.48 153.88 33.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.034 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -65.9 133.76 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -103.99 128.06 51.54 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.302 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 m 64.84 95.69 0.05 OUTLIER Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.459 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.51 130.66 17.55 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.766 2.311 . . . . 0.0 110.863 172.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -120.92 118.61 30.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.677 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -68.48 110.86 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 110.585 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.9 mt -98.02 141.0 31.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 -176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t 63.42 -179.8 0.15 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.109 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 3' ' ' LEU . 3.3 mm? -122.42 101.89 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.851 0.358 . . . . 0.0 110.353 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.5 ' OD1' ' HB3' ' A' ' 6' ' ' GLN . 10.8 t70 -127.15 88.9 53.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.982 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.98 -6.79 11.82 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 123.381 2.721 . . . . 0.0 113.58 -176.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.5 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 22.4 tt0 -69.11 -47.9 63.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 110.405 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mp -72.73 -21.9 60.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.805 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.7 mt -80.86 -37.77 29.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.572 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 58.41 -165.63 0.17 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.316 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.31 105.47 18.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.9 mt -105.49 119.39 38.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.246 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.74 152.53 51.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.3 p -74.35 141.84 77.54 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.11 -7.96 21.97 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.869 2.379 . . . . 0.0 113.398 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HB2' HD13 ' A' ' 34' ' ' LEU . 29.5 mmtp -83.97 -83.58 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.912 0.387 . . . . 0.0 111.327 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.44 -5.76 51.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 3.8 tppp? 60.54 73.33 0.49 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.041 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.12 158.42 22.68 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.29 127.38 21.84 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 29' ' ' LEU . 98.1 mt -80.75 145.11 31.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.849 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -89.64 118.47 29.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CE2' ' HG2' ' A' ' 24' ' ' GLU . 23.9 t80 -91.03 113.61 25.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.29 0.567 . . . . 0.0 111.28 -174.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD23 HD11 ' A' ' 28' ' ' LEU . 58.6 tp -83.65 103.03 12.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.154 173.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 28.9 mt-10 -72.25 -26.29 61.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.727 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -62.29 -49.48 75.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.12 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.96 18.27 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -170.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 56.24 71.77 0.54 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.329 0.393 . . . . 0.0 111.733 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD11 HD23 ' A' ' 23' ' ' LEU . 91.6 mt -138.64 141.45 39.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.683 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 20' ' ' LEU . 96.0 mt -111.03 109.35 19.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -116.11 134.24 60.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.624 0.249 . . . . 0.0 110.803 -174.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.46 HD22 ' HB2' ' A' ' 33' ' ' ARG . 43.3 t30 -111.84 115.58 29.25 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.927 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.0 -16.6 61.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.661 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HB2' HD22 ' A' ' 31' ' ' ASN . 65.3 mtp85 -70.92 -20.41 62.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.466 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 15' ' ' LYS . 67.2 mt -121.98 -16.94 7.43 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 m120 65.46 28.36 11.57 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.595 0.712 . . . . 0.0 110.255 -173.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.5 mt -118.78 146.84 44.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.005 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.22 140.88 52.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -108.75 145.02 35.79 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.916 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -91.36 139.8 30.38 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.923 0.392 . . . . 0.0 111.704 -171.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.55 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 67.9 mt -102.75 111.14 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 167.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -116.61 104.15 11.1 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.879 -170.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.9 t70 56.65 67.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.353 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.42 -9.56 14.17 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.678 -0.692 . . . . 0.0 114.225 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.3 mt -121.32 114.85 31.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 117.438 0.619 . . . . 0.0 111.369 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 10.1 Cg_exo -72.16 119.09 5.94 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.793 2.329 . . . . 0.0 111.124 173.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.5 95.46 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.054 0.454 . . . . 0.0 110.454 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.56 88.31 7.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.145 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -134.12 162.61 31.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.796 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.0 mt -77.57 -38.38 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.023 0.439 . . . . 0.0 110.247 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -75.21 -18.86 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.155 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -87.73 -7.25 57.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.089 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.16 117.15 8.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -106.88 149.47 27.4 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.913 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -74.58 124.45 26.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -135.54 124.17 23.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.776 0.322 . . . . 0.0 110.768 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.5 m 61.74 87.82 0.13 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.828 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -86.74 162.48 9.19 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.505 2.137 . . . . 0.0 111.52 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -63.94 142.68 58.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -81.24 48.35 1.13 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.12 0.486 . . . . 0.0 110.591 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.3 tp 46.64 60.03 3.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.362 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.8 -172.822 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -139.39 143.79 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.439 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -84.33 93.0 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.438 ' OD1' ' HB2' ' A' ' 6' ' ' GLN . 14.1 t70 -120.94 90.02 46.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.438 -171.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.34 -22.81 43.21 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.099 2.532 . . . . 0.0 112.969 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.438 ' HB2' ' OD1' ' A' ' 4' ' ' ASP . 2.1 mp0 -64.49 -48.1 76.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.662 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.8 mt -81.24 1.23 33.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.387 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 93.6 mt -107.1 -48.81 3.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.567 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 30.3 mm-40 66.44 173.14 0.24 Allowed 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.567 0.542 . . . . 0.0 111.118 -176.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.0 t -89.71 96.93 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.727 HD12 HD23 ' A' ' 29' ' ' LEU . 69.9 mt -75.62 109.48 9.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.601 -173.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.21 147.47 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.154 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.1 m -76.67 143.95 72.52 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.242 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.17 -24.19 32.65 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.608 2.205 . . . . 0.0 111.694 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.695 ' HD3' HG22 ' A' ' 49' ' ' ILE . 27.1 mmmt -92.43 -66.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.13 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -88.83 -20.21 24.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.266 -172.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 68.4 mttt 61.4 18.24 9.13 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.003 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.38 163.25 46.5 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.659 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.75 124.17 12.78 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.809 2.339 . . . . 0.0 111.952 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.531 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 76.4 mt -77.23 136.45 38.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.701 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -89.66 120.79 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -86.93 128.13 35.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.009 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 9.1 mp -102.11 116.89 33.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.925 173.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.95 -29.96 69.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.418 -174.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -59.1 -48.2 82.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -174.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -124.02 9.62 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -171.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.444 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 2.4 mp0 57.89 61.09 2.49 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.27 0.557 . . . . 0.0 109.921 -174.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 97.8 mt -117.08 139.13 51.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.791 -175.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.727 HD23 HD12 ' A' ' 11' ' ' LEU . 54.2 mt -110.57 108.69 18.72 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.66 125.05 70.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.56 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -84.12 115.7 22.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -76.39 -11.17 59.85 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.411 -172.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.45 -38.65 21.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.201 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.6 mt -107.56 -15.15 14.67 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.2 m120 67.48 37.15 3.54 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.278 0.561 . . . . 0.0 110.896 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.78 146.54 43.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.137 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.7 139.39 54.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.141 0.496 . . . . 0.0 111.903 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -119.15 140.93 49.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -97.79 148.84 22.97 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.729 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.547 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 59.8 mt -92.2 110.25 22.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 165.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -123.91 120.83 33.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.978 -168.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t0 61.63 28.43 17.61 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.719 0.771 . . . . 0.0 110.87 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.13 0.86 73.39 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.805 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -122.87 117.73 28.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.604 0.24 . . . . 0.0 110.784 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.547 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 16.9 Cg_exo -67.79 118.69 5.78 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.532 2.155 . . . . 0.0 111.046 173.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.37 80.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.33 0.586 . . . . 0.0 110.586 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.12 73.7 4.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.051 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 96.1 mt -121.08 127.01 51.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.695 HG22 ' HD3' ' A' ' 15' ' ' LYS . 78.5 mt -48.69 -59.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.261 -0.882 . . . . 0.0 112.932 -175.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -89.82 7.51 36.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.524 -172.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 48' ' ' LEU . 6.8 tp10 -102.24 -4.68 25.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.24 0.543 . . . . 0.0 109.702 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.28 140.59 57.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.9 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -114.82 149.03 37.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.997 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.1 128.99 37.08 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -111.04 134.03 52.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.174 -175.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 57.3 m -90.65 135.44 29.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.291 174.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -66.04 57.31 0.42 Allowed 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 123.368 2.712 . . . . 0.0 114.05 -176.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 63.28 -162.85 0.28 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.064 0.546 . . . . 0.0 110.485 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -85.61 100.99 12.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.688 0.28 . . . . 0.0 110.41 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 tp -89.64 97.03 10.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.439 -174.738 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.649 -0.13 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m 68.82 -164.46 0.19 Allowed 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.589 0.556 . . . . 0.0 111.018 176.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 65.95 -173.83 0.18 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.078 0.466 . . . . 0.0 110.87 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.416 ' OD1' ' HG ' ' A' ' 7' ' ' LEU . 13.1 t70 -122.32 88.63 48.92 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.173 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.31 -21.43 60.53 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.809 2.339 . . . . 0.0 112.964 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -75.1 -24.41 58.09 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HG ' ' OD1' ' A' ' 4' ' ' ASP . 64.1 mt -74.06 -15.66 61.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.81 0.338 . . . . 0.0 110.58 174.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt -112.77 -77.97 0.58 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.216 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 61.18 -164.45 0.24 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.985 -172.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.31 101.86 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.181 0.515 . . . . 0.0 110.564 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' HB3' HD13 ' A' ' 20' ' ' LEU . 97.5 mt -103.52 115.69 30.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.69 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.48 156.94 47.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.137 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 49.3 t -65.07 141.26 98.28 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.663 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 25.8 Cg_exo -64.36 -21.21 66.86 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.606 2.204 . . . . 0.0 112.94 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' A' ' 15' ' ' LYS . 27.9 mmmt -79.92 -71.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 112.021 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -98.25 -9.84 24.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 -174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 88.1 mttt 61.62 35.17 17.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.727 -176.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.23 141.57 23.26 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.347 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.57 136.35 73.53 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.069 2.513 . . . . 0.0 112.687 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 11' ' ' LEU . 94.0 mt -83.67 133.12 34.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.922 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -84.66 118.78 24.6 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -89.33 114.07 25.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.061 0.458 . . . . 0.0 111.766 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 8.7 mp -90.96 104.15 16.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.455 174.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.27 -46.38 88.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.115 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 m -56.92 -49.7 74.83 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -172.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -107.0 7.63 29.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 55.37 58.53 4.55 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.214 0.53 . . . . 0.0 110.506 -178.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 97.8 mt -121.8 141.58 51.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB3' HD12 ' A' ' 20' ' ' LEU . 95.9 mt -114.68 109.79 18.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.952 175.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -116.96 117.95 57.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.012 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.478 ' HB2' HD22 ' A' ' 20' ' ' LEU . 26.1 t30 -76.74 115.74 16.78 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 174.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.14 -15.63 61.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.579 . . . . 0.0 110.945 -172.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -77.02 -30.25 55.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.728 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.3 mt -114.42 -10.91 12.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.081 0.467 . . . . 0.0 110.104 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 54.37 52.47 12.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.772 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.26 150.09 40.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.884 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.6 128.8 54.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.226 0.536 . . . . 0.0 111.83 -172.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -109.68 140.35 43.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.248 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -93.19 140.13 29.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.134 -175.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -99.2 112.2 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 171.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -126.91 126.73 43.75 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 64.8 13.81 8.73 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.882 0.848 . . . . 0.0 110.75 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.68 7.52 66.56 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.792 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.1 mt -107.86 115.59 58.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HB3' HD13 ' A' ' 29' ' ' LEU . 9.6 Cg_exo -71.94 105.38 1.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.562 2.174 . . . . 0.0 110.929 174.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.52 95.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.71 35.4 1.04 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.124 -176.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 91.1 mt -84.72 120.74 26.75 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.963 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.2 -34.85 65.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.191 0.52 . . . . 0.0 110.596 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.29 -28.57 69.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.18 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 3.8 mm-40 -93.67 -10.0 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.945 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.91 128.9 37.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.238 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 m -113.0 148.22 35.54 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.78 124.32 22.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -85.64 143.15 28.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.6 0.714 . . . . 0.0 112.014 -168.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.5 t -149.18 114.12 3.6 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.417 172.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.16 177.14 3.3 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.802 2.335 . . . . 0.0 112.19 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -76.9 -10.32 59.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.796 0.808 . . . . 0.0 109.956 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -128.63 131.79 48.1 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.897 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mp -105.33 104.73 14.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.044 0.45 . . . . 0.0 111.081 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 175.5 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 ttp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.769 0.318 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -127.03 94.33 3.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.98 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 51.36 83.7 0.05 OUTLIER 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.672 0.608 . . . . 0.0 110.777 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.494 ' OD2' ' HB2' ' A' ' 6' ' ' GLN . 33.9 t70 -118.29 90.34 38.05 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.251 -172.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -67.97 3.94 1.73 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.923 2.415 . . . . 0.0 112.408 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.494 ' HB2' ' OD2' ' A' ' 4' ' ' ASP . 25.6 mm-40 -77.31 -50.97 11.68 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 175.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.28 -38.0 56.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.888 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -91.38 112.65 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.203 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -130.73 159.21 37.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.5 t -72.18 97.04 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.097 0.475 . . . . 0.0 110.472 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.546 HD13 HD12 ' A' ' 47' ' ' LEU . 63.5 mt -106.11 155.48 19.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.588 -177.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.43 173.15 11.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.758 0.313 . . . . 0.0 111.02 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 m -87.6 126.48 61.77 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.19 45.65 1.6 Allowed 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.185 2.59 . . . . 0.0 112.934 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -156.85 -73.52 0.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.569 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -91.56 -19.92 22.24 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt 59.64 48.45 9.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.082 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.16 -177.27 30.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.217 -0.902 . . . . 0.0 112.109 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.03 129.83 13.68 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.749 2.299 . . . . 0.0 113.114 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.454 HD11 HD12 ' A' ' 29' ' ' LEU . 77.5 mt -88.24 128.5 35.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.897 176.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -89.76 115.99 27.53 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 33.6 t80 -94.11 132.72 38.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.468 . . . . 0.0 111.289 -173.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.54 106.5 15.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.707 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 1.6 mp0 -63.97 -27.34 69.06 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 m -68.91 -34.6 75.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.94 7.29 8.01 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.552 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 5.1 mp0 54.79 53.36 10.61 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.114 0.483 . . . . 0.0 111.276 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -118.94 139.26 51.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.214 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 20' ' ' LEU . 88.6 mt -110.41 108.43 18.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 172.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.95 125.33 69.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-O 120.985 0.421 . . . . 0.0 111.498 -172.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -95.74 114.07 25.77 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 170.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -82.54 -13.51 56.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.402 0.62 . . . . 0.0 110.434 -173.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -79.97 -36.02 36.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.371 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.9 mt -97.59 -15.78 20.33 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.058 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.71 28.97 7.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.548 0.689 . . . . 0.0 109.68 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.3 mt -118.4 140.02 50.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.621 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.98 139.84 53.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.007 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -110.7 138.92 46.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.149 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -100.6 142.75 31.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.919 0.39 . . . . 0.0 111.486 -173.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 62.3 mt -94.67 116.6 36.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 169.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -124.01 123.46 40.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.811 -173.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.4 t70 63.17 20.89 12.55 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.733 0.778 . . . . 0.0 111.348 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.66 -1.94 66.63 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.239 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.9 mt -110.92 116.71 51.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.704 0.288 . . . . 0.0 110.581 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 16.3 Cg_exo -68.63 109.93 2.2 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.53 2.153 . . . . 0.0 111.507 175.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.2 t -80.82 90.55 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.987 0.422 . . . . 0.0 109.987 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.546 HD12 HD13 ' A' ' 11' ' ' LEU . 72.2 mt -102.64 75.0 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.202 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 7.7 mp -120.25 145.85 46.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.123 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 mt -66.47 -46.26 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.837 -172.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -76.62 -32.1 57.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.276 0.56 . . . . 0.0 110.182 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 4.4 mp0 -78.77 -3.4 44.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.162 -175.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.61 127.11 29.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.075 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -104.31 146.23 29.1 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.46 138.82 36.63 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.457 ' O ' ' HD3' ' A' ' 57' ' ' PRO . 77.2 t-105 -127.53 149.24 50.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 -175.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 m -99.38 101.31 12.66 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 55' ' ' TRP . 12.5 Cg_exo -70.09 117.88 5.36 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.962 2.441 . . . . 0.0 112.49 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.66 109.67 18.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.924 177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -122.15 91.48 3.51 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 tp 66.42 112.77 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.919 0.762 . . . . 0.0 112.975 173.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.334 174.524 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -128.92 136.09 49.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.608 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 62.3 tp -94.91 109.48 21.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.417 ' OD2' ' HG ' ' A' ' 7' ' ' LEU . 17.7 t70 -115.1 88.13 17.02 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.82 -178.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 3' ' ' LEU . 16.6 Cg_exo -68.14 -4.21 12.2 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.034 2.489 . . . . 0.0 112.45 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.19 -39.31 71.88 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' HG ' ' OD2' ' A' ' 4' ' ' ASP . 95.6 mt -83.74 10.54 9.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.292 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.55 -57.2 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.502 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 64.45 -172.89 0.17 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.426 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -95.97 108.41 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -104.14 110.41 22.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.015 178.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.02 163.68 20.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.313 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' HB2' HD22 ' A' ' 20' ' ' LEU . 41.6 t -78.14 130.96 70.68 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.338 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 15.2 Cg_exo -69.84 35.72 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.735 2.957 . . . . 0.0 113.111 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 13' ' ' CYS . 41.3 mttm -120.11 -66.22 1.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.266 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -130.94 21.01 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? 66.42 19.7 10.94 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.608 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -69.04 130.08 24.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.872 177.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 28.3 Cg_exo -62.52 139.56 76.84 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.975 2.45 . . . . 0.0 112.66 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 13' ' ' CYS . 60.0 mt -99.43 152.04 20.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.033 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -85.19 119.61 25.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -86.45 109.11 18.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.359 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 28' ' ' LEU . 92.3 mt -83.71 113.71 21.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.783 175.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -22.27 31.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.277 0.56 . . . . 0.0 111.133 -176.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.91 -57.05 4.34 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.264 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -107.89 3.87 24.76 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 8.5 mp0 52.7 71.89 0.45 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.462 0.648 . . . . 0.0 112.517 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.735 ' HB2' HD11 ' A' ' 23' ' ' LEU . 95.8 mt -133.92 147.48 51.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.661 177.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' HB3' HD12 ' A' ' 20' ' ' LEU . 88.9 mt -110.68 109.23 19.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.61 125.62 72.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.851 0.357 . . . . 0.0 111.109 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -83.11 114.39 21.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 172.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -84.95 -6.16 59.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.178 0.513 . . . . 0.0 110.753 -172.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -97.31 -35.38 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.648 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.2 mt -102.1 -10.72 19.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.403 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.1 m120 65.69 35.32 7.0 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.412 0.445 . . . . 0.0 111.236 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.4 mt -118.57 144.73 45.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.3 141.72 51.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.014 0.435 . . . . 0.0 111.714 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -117.43 155.01 30.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.109 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -97.69 163.15 12.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.223 0.535 . . . . 0.0 111.501 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.5 mt -121.45 133.86 66.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -121.23 99.48 6.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.631 0.253 . . . . 0.0 110.826 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.9 t70 53.34 59.11 4.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.6 173.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.37 -19.64 34.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.681 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.5 mt -107.59 115.18 59.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 117.118 0.459 . . . . 0.0 110.72 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -68.46 131.86 24.15 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.513 2.142 . . . . 0.0 111.499 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -93.01 100.55 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.121 0.486 . . . . 0.0 110.107 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -98.74 77.56 2.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.232 0.539 . . . . 0.0 110.569 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.75 124.82 49.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.332 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.89 -34.75 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.145 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -78.12 0.71 23.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.21 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -115.59 0.52 13.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.235 0.54 . . . . 0.0 110.064 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.43 109.16 6.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.855 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.5 p -102.43 149.5 24.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.142 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.32 134.79 52.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.11 0.481 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.7 t-105 -115.55 122.8 46.78 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.6 p -65.78 167.6 10.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.5 77.91 0.1 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.618 2.212 . . . . 0.0 111.907 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -91.19 79.55 5.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.089 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -161.99 178.98 8.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.077 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.7 mt -90.59 38.19 0.94 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 121.048 0.451 . . . . 0.0 110.253 172.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 p -67.52 133.76 50.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.986 0.422 . . . . 0.0 110.905 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.3 tp -103.89 135.54 45.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.409 ' OD1' ' HG ' ' A' ' 7' ' ' LEU . 11.0 t70 -125.97 88.72 53.76 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.14 -3.42 12.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.973 2.449 . . . . 0.0 112.297 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -83.75 -32.16 25.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.649 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' HG ' ' OD1' ' A' ' 4' ' ' ASP . 94.1 mt -67.8 -26.47 66.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.231 0.539 . . . . 0.0 109.911 172.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.76 -52.16 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.951 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.3 -164.82 0.24 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.673 -175.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.2 t -75.6 108.38 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.221 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt -113.92 111.68 22.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.091 0.472 . . . . 0.0 111.228 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.33 147.54 24.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.899 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.32 125.9 92.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -57.31 -38.39 94.95 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.718 2.278 . . . . 0.0 113.035 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -88.92 -54.37 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 111.204 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.5 ' HB2' HD12 ' A' ' 34' ' ' LEU . 12.2 t70 -81.06 -24.47 37.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.886 -172.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt 61.12 30.21 19.28 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 111.019 -177.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.48 -178.99 21.79 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.737 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.0 158.72 45.65 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 122.819 2.346 . . . . 0.0 112.805 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -116.56 136.39 53.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -86.94 122.46 30.82 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -90.92 116.32 28.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.434 -175.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.681 ' O ' ' HA ' ' A' ' 27' ' ' GLN . 3.7 mm? -82.97 136.78 34.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.522 172.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -95.29 -31.11 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -171.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.5 t -90.79 -47.86 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.493 0.663 . . . . 0.0 109.631 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.51 -29.58 52.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.789 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.681 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 38.5 mt-30 51.53 69.3 0.68 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.632 -176.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 39' ' ' ARG . 79.6 mt -133.41 161.27 35.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.345 -1.298 . . . . 0.0 108.321 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' HG ' HD13 ' A' ' 40' ' ' ILE . 98.3 mt -111.5 110.09 20.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.9 t -116.07 129.21 72.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.625 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -100.36 114.93 28.84 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -78.61 -6.84 56.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.356 -172.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.6 mtp85 -79.06 -31.19 44.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.814 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' A' ' 16' ' ' ASP . 84.3 mt -104.53 -16.37 15.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.04 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 66.3 28.09 9.96 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 122.037 0.923 . . . . 0.0 109.257 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.67 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 99.0 mt -118.45 144.39 46.01 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.153 -177.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.76 140.63 52.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.282 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -108.2 124.83 50.88 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.532 ' HA ' HD23 ' A' ' 28' ' ' LEU . 7.3 ptm180 -78.44 140.58 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.231 0.539 . . . . 0.0 111.277 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.547 HD13 ' HG ' ' A' ' 29' ' ' LEU . 60.6 mt -101.33 116.87 45.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.352 174.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -94.67 93.66 7.68 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.8 t70 46.48 72.81 0.21 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.803 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.32 -9.03 43.14 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.732 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.8 mt -115.93 104.28 52.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 117.383 0.591 . . . . 0.0 110.931 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 46.3 Cg_endo -69.7 123.31 10.0 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.575 2.183 . . . . 0.0 112.306 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.3 t -85.54 88.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.245 0.545 . . . . 0.0 109.825 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.78 68.74 10.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.785 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.27 121.17 38.09 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.9 mt -58.6 -40.05 77.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.434 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.01 -12.01 61.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.234 -177.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 -4.68 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.95 0.405 . . . . 0.0 110.683 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -69.16 110.83 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.614 -178.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -95.42 161.77 13.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.341 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.67 129.87 35.2 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.836 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 -116.56 149.54 39.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.025 0.44 . . . . 0.0 110.659 -176.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 p -77.65 149.61 78.09 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.097 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.25 176.98 3.46 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.744 2.296 . . . . 0.0 111.861 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -82.58 13.62 3.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.654 0.74 . . . . 0.0 110.122 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -131.65 124.82 30.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.316 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.75 135.43 33.75 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.776 0.322 . . . . 0.0 111.293 -174.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 C--N 1.333 -0.147 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.349 -174.361 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtm . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -101.96 139.45 37.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.321 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.5 tp 69.08 114.63 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 O-C-N 123.86 0.725 . . . . 0.0 110.019 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.405 ' OD2' ' HG ' ' A' ' 7' ' ' LEU . 34.5 t70 -108.53 89.98 6.72 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.703 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -73.33 4.76 3.62 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.34 2.026 . . . . 0.0 111.755 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -37.85 65.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.266 -178.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HG ' ' OD2' ' A' ' 4' ' ' ASP . 96.2 mt -77.81 2.3 17.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.378 178.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.4 mt -121.6 -47.4 2.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.964 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 62.54 -164.73 0.25 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.614 0.571 . . . . 0.0 111.538 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.6 t -92.16 111.24 23.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.07 0.462 . . . . 0.0 110.12 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.501 HD13 HD13 ' A' ' 29' ' ' LEU . 81.8 mt -97.77 124.83 42.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.73 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.72 169.24 10.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.77 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.8 m -88.64 142.46 30.93 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.109 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.11 -6.13 18.47 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.709 2.272 . . . . 0.0 112.732 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -92.44 -69.77 0.73 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.582 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -120.51 12.26 11.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 110.816 -175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 93.0 mttt 51.36 34.52 11.98 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.818 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.58 166.24 54.09 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.708 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -68.96 143.55 55.12 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 123.221 2.614 . . . . 0.0 112.776 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD13 HD11 ' A' ' 29' ' ' LEU . 88.1 mt -115.04 130.05 56.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.075 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -93.41 133.57 36.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -92.41 122.4 34.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.133 0.492 . . . . 0.0 111.585 -174.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -105.5 130.33 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.933 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -80.24 -7.49 59.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.084 -173.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 m -51.52 -57.91 7.75 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -135.9 23.3 3.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.513 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 2.3 mp0 61.06 75.49 0.41 Allowed 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.579 0.704 . . . . 0.0 109.171 -170.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.5 mt -121.29 144.42 48.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.797 -174.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 20' ' ' LEU . 95.9 mt -110.8 121.37 45.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.724 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.1 t -109.21 120.63 60.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.171 0.51 . . . . 0.0 110.472 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -78.48 116.21 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.661 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -91.43 25.76 2.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.622 0.725 . . . . 0.0 110.753 -173.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -115.73 -59.25 2.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.148 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -100.35 -6.28 26.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.924 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' A' ' 57' ' ' PRO . 8.8 t30 64.83 67.22 0.55 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.242 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -135.26 160.97 36.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.525 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB3' ' HB2' ' A' ' 55' ' ' TRP . . . -122.43 137.84 54.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.121 0.486 . . . . 0.0 111.702 -176.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -115.0 145.43 42.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.121 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -100.78 140.71 34.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.387 -173.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.513 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 70.8 mt -106.92 121.72 60.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -92.99 94.49 8.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.657 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.8 t70 58.81 16.63 4.62 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.606 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.98 -15.78 6.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.672 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.8 mp -107.01 114.84 61.06 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 44' ' ' ILE . 17.3 Cg_exo -66.45 128.51 19.38 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.017 2.478 . . . . 0.0 112.488 -177.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.45 84.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.9 mt -90.5 78.04 6.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.823 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 93.8 mt -116.74 139.51 50.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.469 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.8 mt -73.25 -32.9 39.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.031 0.443 . . . . 0.0 110.192 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.48 -26.18 60.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.992 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 7.2 mm-40 -92.78 3.95 54.71 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.262 -178.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.92 106.55 0.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 m -97.95 147.2 24.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.328 -173.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.51 124.35 29.4 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.484 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 56.8 t-105 -114.9 171.37 7.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.368 -172.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p -77.29 148.5 77.76 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 20.2 Cg_endo -60.85 132.27 41.58 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.405 2.07 . . . . 0.0 112.268 -177.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -65.08 119.51 10.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.752 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -76.75 117.53 18.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.368 0.604 . . . . 0.0 110.433 -177.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.8 mt -112.85 112.93 24.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.405 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -133.23 115.33 14.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.11 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -75.97 112.69 12.66 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -114.32 90.03 19.42 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.452 -175.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.1 8.75 1.96 Allowed 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.536 2.157 . . . . 0.0 112.377 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -86.08 -51.69 6.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.262 0.553 . . . . 0.0 109.532 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.94 -26.8 63.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.469 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -84.86 -35.22 22.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.773 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.781 ' HG2' ' H ' ' A' ' 10' ' ' VAL . 21.3 tt0 62.59 -164.92 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.118 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.781 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 46.8 t -96.81 107.66 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.854 0.359 . . . . 0.0 110.655 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -101.33 114.3 28.17 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.86 150.74 39.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 15' ' ' LYS . 17.9 t -65.08 125.99 90.35 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.345 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 22.2 Cg_exo -63.67 -15.6 49.71 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.824 2.349 . . . . 0.0 112.671 -177.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 52.3 tptt -83.12 -41.23 18.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.879 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -131.11 -2.82 3.97 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.066 -0.654 . . . . 0.0 112.292 -174.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 67.05 18.36 10.52 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.005 0.431 . . . . 0.0 111.234 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.05 137.43 19.91 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.718 -0.754 . . . . 0.0 111.544 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.24 133.6 50.61 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.65 2.233 . . . . 0.0 112.337 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 87.5 mt -80.26 127.1 31.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.558 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -84.31 126.22 32.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.401 ' HE1' ' HG3' ' A' ' 24' ' ' GLU . 17.0 t80 -86.28 117.64 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.646 -174.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.64 116.39 31.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.382 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HG3' ' HE1' ' A' ' 22' ' ' TYR . 58.5 mp0 -72.64 -15.22 61.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.942 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 m -48.5 -55.38 11.17 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.834 0.349 . . . . 0.0 111.733 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -132.71 19.82 4.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.07 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 56.61 74.15 0.41 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.644 -175.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.0 mt -122.27 147.22 46.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.612 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 97.3 mt -111.17 109.36 19.38 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 173.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -109.75 124.08 66.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.914 0.388 . . . . 0.0 111.665 -172.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -84.37 113.88 21.48 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 171.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -84.47 -10.59 57.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.064 -170.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -73.76 -34.63 64.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -115.46 1.18 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.17 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.6 t30 58.02 44.13 19.98 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.558 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -118.0 145.55 44.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.616 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 55' ' ' TRP . . . -120.99 128.29 52.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.217 0.532 . . . . 0.0 111.124 -176.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -102.51 135.0 44.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.946 -1.024 . . . . 0.0 108.579 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -98.15 140.16 32.88 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.26 0.552 . . . . 0.0 111.874 -171.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 HG12 ' HB3' ' A' ' 45' ' ' PRO . 65.2 mt -103.45 111.86 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -96.44 99.76 11.41 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -177.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.0 t0 44.92 55.44 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.026 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.12 -14.84 61.05 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.529 -0.843 . . . . 0.0 113.617 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -107.88 107.92 60.82 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.205 0.503 . . . . 0.0 110.776 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.47 ' HB3' HG12 ' A' ' 40' ' ' ILE . 96.5 Cg_endo -83.71 120.76 2.79 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.792 2.328 . . . . 0.0 112.535 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.9 t -95.06 113.99 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.9 mt -111.43 31.79 5.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.313 0.578 . . . . 0.0 110.891 -174.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 91.9 mt -88.98 135.35 33.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.861 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mp -58.89 -46.68 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -28.26 69.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.67 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 59.2 mm-40 -95.09 3.29 54.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.378 -177.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.19 142.88 27.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.284 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -115.74 150.01 37.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -73.83 132.39 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.482 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 50.9 t-105 -100.07 144.34 29.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.32 0.581 . . . . 0.0 111.614 -170.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 3.0 p -106.67 125.41 32.83 Favored Pre-proline 0 N--CA 1.445 -0.691 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.454 175.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.783 ' HG2' HD22 ' A' ' 60' ' ' LEU . 3.9 Cg_endo -48.58 147.58 9.25 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.23 2.62 . . . . 0.0 112.422 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -59.29 123.67 17.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.888 -173.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 52.42 94.52 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.422 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.783 HD22 ' HG2' ' A' ' 57' ' ' PRO . 96.0 mt -84.44 140.03 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.5 174.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.403 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -83.86 125.46 32.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.766 0.317 . . . . 0.0 111.847 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 mp 64.83 -175.08 0.17 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.827 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -124.48 89.49 52.08 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.185 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.67 2.67 1.49 Allowed 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.258 2.639 . . . . 0.0 113.577 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.87 -34.58 11.79 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.52 -24.11 58.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 0.0 110.202 173.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -95.27 -47.58 6.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 60.47 -164.87 0.22 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.301 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -99.27 107.9 21.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.913 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.9 mt -93.19 124.36 37.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.472 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.55 156.23 42.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.996 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' HD23 ' A' ' 20' ' ' LEU . 38.1 t -81.55 126.63 75.57 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.283 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.71 9.64 0.56 Allowed 'Trans proline' 0 N--CA 1.476 0.447 0 C-N-CA 122.973 2.448 . . . . 0.0 113.286 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -85.18 -42.02 15.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.861 0.362 . . . . 0.0 110.185 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -151.98 12.78 0.59 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.943 0.401 . . . . 0.0 111.389 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.7 tttt 65.48 32.81 9.22 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.8 0.809 . . . . 0.0 110.435 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.73 148.5 21.82 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.349 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.45 143.82 93.87 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.773 2.315 . . . . 0.0 113.026 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 13' ' ' CYS . 95.5 mt -100.04 131.11 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.263 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -95.25 121.55 37.02 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -85.63 127.01 34.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.076 0.465 . . . . 0.0 110.913 -174.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -106.98 112.46 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.856 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.2 -12.66 42.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.973 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -63.17 -48.08 79.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.528 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -131.86 7.45 4.39 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -173.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 62.78 40.84 9.53 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.084 0.469 . . . . 0.0 110.826 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.11 157.97 25.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 84.4 mt -109.9 110.7 21.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.4 177.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.51 120.8 62.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.926 0.394 . . . . 0.0 110.635 -175.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -73.19 119.52 17.55 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.23 -19.47 65.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.916 -171.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -88.64 -52.27 5.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.0 111.11 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.45 -19.87 32.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.876 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t30 66.33 38.11 4.57 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 122.092 0.949 . . . . 0.0 109.732 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -117.73 146.62 43.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.617 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' LEU . . . -122.52 138.24 54.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.359 0.599 . . . . 0.0 111.994 -172.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -107.15 149.38 27.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.62 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 39' ' ' ARG . 40.0 mtt180 -101.0 141.83 33.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.518 -173.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -110.39 134.61 52.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -127.08 95.32 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.869 0.366 . . . . 0.0 110.425 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 51.73 72.53 0.37 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.942 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.72 -14.98 8.47 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.555 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.448 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 65.2 mt -108.36 112.48 61.03 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.958 0.379 . . . . 0.0 110.593 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 44' ' ' ILE . 6.1 Cg_exo -79.23 119.6 4.27 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.983 2.455 . . . . 0.0 111.856 178.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.546 HG11 HD23 ' A' ' 48' ' ' LEU . 65.5 t -77.84 96.88 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.46 38.23 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.268 -173.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD23 HG11 ' A' ' 46' ' ' VAL . 3.6 mm? -81.35 123.65 28.72 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.011 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.8 mt -58.87 -37.65 68.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.86 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.15 -8.04 57.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.167 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 22.5 mm-40 -107.09 4.88 27.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.46 126.69 30.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 m -111.38 148.63 32.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.101 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.84 128.93 34.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -104.86 154.43 20.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.205 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.6 m -61.73 128.76 90.8 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -41.32 125.29 2.53 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.174 2.582 . . . . 0.0 112.869 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -52.87 140.78 23.43 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.451 -177.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -74.22 83.84 1.87 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.859 0.838 . . . . 0.0 111.652 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.1 mt -86.6 107.78 18.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.102 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.481 -176.254 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.78 0.324 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 m 58.29 -176.32 0.08 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.845 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.0 mp 59.07 -169.18 0.14 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.444 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.05 87.86 53.0 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.695 174.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.21 -4.31 11.45 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.125 2.55 . . . . 0.0 112.828 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -86.29 -44.39 12.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.985 0.421 . . . . 0.0 110.222 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.1 mt -76.45 -17.73 59.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.646 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.2 mt -94.61 -27.89 15.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.905 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 61.8 -175.6 0.13 Allowed 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.618 0.574 . . . . 0.0 111.41 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.2 t -108.33 93.85 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.583 HD13 HD13 ' A' ' 29' ' ' LEU . 87.6 mt -85.49 109.7 18.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 -174.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.04 149.09 44.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.671 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.631 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 2.9 p -67.1 135.32 93.82 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.825 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 47' ' ' LEU . 36.1 Cg_endo -65.36 -25.96 56.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.899 2.4 . . . . 0.0 113.224 -175.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -90.99 -57.0 2.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.781 0.324 . . . . 0.0 111.616 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.631 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 16.5 t70 -84.86 -27.17 26.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.638 -172.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 tptt 65.04 17.96 11.29 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.216 0.607 . . . . 0.0 110.588 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.64 176.54 36.67 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.145 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.49 140.59 57.98 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.966 2.444 . . . . 0.0 112.639 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 13' ' ' CYS . 88.8 mt -110.35 138.93 46.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.428 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -89.97 124.4 34.71 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' HD1' ' HG3' ' A' ' 24' ' ' GLU . 31.9 t80 -86.2 109.55 18.98 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -85.57 95.13 9.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 176.564 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' HG3' ' HD1' ' A' ' 22' ' ' TYR . 1.9 mp0 -65.28 -24.53 67.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.432 -171.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -72.03 -30.71 65.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.283 -174.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -132.13 9.11 4.43 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.964 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.453 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 13.0 mp0 56.23 62.22 2.43 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.19 0.519 . . . . 0.0 110.902 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.5 mt -124.99 148.13 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.292 -178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.583 HD13 HD13 ' A' ' 11' ' ' LEU . 95.8 mt -113.98 110.6 20.31 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.0 t -109.52 132.56 57.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.564 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.471 ' HB2' HD22 ' A' ' 20' ' ' LEU . 46.3 t30 -116.76 115.65 25.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.039 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.94 -23.79 67.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.817 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 33' ' ' ARG . 15.1 mtp180 -76.25 -13.69 60.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.017 -178.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.0 mt -121.5 -17.72 7.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.593 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.61 18.3 11.18 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.672 0.749 . . . . 0.0 109.254 -175.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.43 HD21 ' HA ' ' A' ' 54' ' ' GLU . 88.0 mt -118.91 153.79 34.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.416 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.52 141.33 51.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.121 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -104.57 141.54 36.22 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 175.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 30.0 mtm180 -93.55 139.46 30.73 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.964 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.453 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 66.3 mt -104.3 112.59 38.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 170.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -104.67 96.02 6.29 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.402 -174.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 47.89 71.61 0.33 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.952 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.45 -20.46 30.59 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.706 -0.679 . . . . 0.0 113.297 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.9 mt -110.1 107.65 58.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 117.209 0.504 . . . . 0.0 111.211 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.36 109.94 3.01 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.862 2.375 . . . . 0.0 111.101 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG11 ' HG2' ' A' ' 51' ' ' GLU . 34.2 t -79.49 82.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.456 0.646 . . . . 0.0 110.141 -178.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.493 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 94.0 mt -87.36 79.27 8.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.316 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -129.36 141.17 51.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.873 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.9 -39.58 67.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.273 0.558 . . . . 0.0 110.089 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.36 -27.51 67.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.053 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' HG2' HG11 ' A' ' 46' ' ' VAL . 11.8 tp10 -92.77 -9.24 41.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.727 -175.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.47 123.79 22.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 m -105.03 152.65 22.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.203 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' HA ' HD21 ' A' ' 36' ' ' LEU . 37.4 tt0 -76.29 124.48 27.57 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -141.87 149.48 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.347 -172.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.4 m 61.2 85.47 0.18 Allowed Pre-proline 0 CA--C 1.533 0.294 0 O-C-N 123.837 0.71 . . . . 0.0 111.528 -177.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.27 112.51 3.56 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.77 2.313 . . . . 0.0 111.406 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -80.31 161.28 25.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.193 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.51 157.65 19.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.902 0.382 . . . . 0.0 111.215 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.2 mt -75.47 93.79 3.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.341 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.762 177.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.7 ttm . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.526 0.203 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t 60.36 -170.48 0.14 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.153 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 45.0 tp -129.51 153.08 48.35 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -113.14 88.11 11.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 120.894 0.378 . . . . 0.0 110.016 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.04 -16.75 34.4 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 123.202 2.602 . . . . 0.0 113.618 -174.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -69.64 -28.82 66.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.115 0.483 . . . . 0.0 110.82 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mp -93.29 15.57 15.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.2 mt -138.68 -54.71 0.61 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.553 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 66.08 177.45 0.22 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.572 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.91 98.0 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.168 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.59 104.73 10.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.784 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.93 155.16 28.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.093 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.592 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 27.9 m -63.84 149.51 92.98 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.698 179.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.75 -27.05 26.98 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.248 1.965 . . . . 0.0 113.376 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -103.64 -70.84 0.75 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.657 -176.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.1 -25.43 59.79 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.769 0.319 . . . . 0.0 110.855 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 29.5 mtpt 66.31 27.8 10.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.813 176.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.72 162.56 50.61 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.12 171.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.55 118.93 5.84 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.653 2.235 . . . . 0.0 112.222 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.31 142.1 54.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.947 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -85.13 127.42 34.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -91.74 124.41 35.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.213 -175.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mp -107.87 113.84 27.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.295 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -62.24 -30.66 71.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.202 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -49.44 -70.15 0.1 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.248 -172.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -114.93 19.33 15.91 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.423 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 57.78 65.25 1.36 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.998 0.428 . . . . 0.0 110.252 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -128.31 146.8 50.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.205 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.4 mt -112.32 117.12 31.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.272 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -109.63 132.55 57.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -173.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -107.31 122.22 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -62.4 -41.36 98.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.361 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 3.0 mpt_? -72.48 -18.14 61.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -168.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 83.8 mt -121.37 -5.3 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.949 -177.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 59.84 27.53 16.87 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.677 0.751 . . . . 0.0 110.263 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 34' ' ' LEU . 99.6 mt -119.06 157.26 28.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.712 -176.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.32 131.66 54.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.178 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -96.34 136.24 37.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.458 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -90.84 140.1 30.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.08 -168.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.46 111.48 36.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -106.31 96.16 6.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.967 0.413 . . . . 0.0 110.345 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 52.57 67.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.962 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.99 -13.15 39.34 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.645 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.07 107.75 60.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.945 0.373 . . . . 0.0 110.555 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.16 111.24 3.23 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.149 2.566 . . . . 0.0 111.575 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.6 t -86.02 97.99 6.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.88 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -91.01 43.24 1.14 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.195 0.521 . . . . 0.0 110.786 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -97.88 124.24 42.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.053 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.5 -31.63 53.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.997 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.11 -26.64 61.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -91.31 -11.38 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.361 0.6 . . . . 0.0 110.174 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.87 138.57 41.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.381 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.2 t -109.81 161.25 15.63 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.117 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -70.8 124.84 25.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.781 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.401 ' O ' ' HB ' ' A' ' 56' ' ' THR . 63.1 t-105 -140.78 150.67 43.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.834 -176.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 55' ' ' TRP . 47.7 m 72.56 88.19 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 123.874 0.734 . . . . 0.0 110.775 -177.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -79.52 152.26 23.0 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.044 2.496 . . . . 0.0 111.488 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -93.54 123.95 37.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.331 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.4 90.32 0.96 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 173.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 pp -72.79 156.33 39.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.532 -175.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.31 -177.531 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.429 HD13 HD11 ' A' ' 29' ' ' LEU . 86.7 mt . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.792 0.33 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.91 154.45 28.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.494 -177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.563 ' HB2' HD21 ' A' ' 20' ' ' LEU . 36.8 t -67.45 136.75 93.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.792 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 37.4 Cg_exo -61.8 -26.63 79.7 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.878 2.386 . . . . 0.0 113.142 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.913 ' HD3' HG23 ' A' ' 49' ' ' ILE . 54.2 mtmt -100.0 -55.83 2.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.697 0.284 . . . . 0.0 111.539 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.89 -27.29 60.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.998 0.428 . . . . 0.0 110.877 -176.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 41.1 tptt 65.93 10.32 6.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.156 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.96 151.72 20.95 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.567 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.38 129.48 25.48 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.687 2.258 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 13' ' ' CYS . 75.6 mt -81.98 146.57 29.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.9 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -83.85 120.27 25.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -88.63 116.0 26.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.191 -172.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.6 mm? -94.0 112.51 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.14 -28.64 64.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.726 -173.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 m -65.83 -38.81 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -172.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.5 13.58 4.99 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.748 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.567 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 10.9 mp0 52.49 65.16 1.59 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.212 0.529 . . . . 0.0 111.541 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.2 mt -118.61 138.2 52.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.372 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 11' ' ' LEU . 88.8 mt -112.64 108.82 18.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.05 129.93 69.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.19 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -87.64 115.3 24.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 171.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -80.04 -7.08 58.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.35 0.595 . . . . 0.0 111.509 -169.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 33' ' ' ARG . 44.5 mtp180 -99.22 -36.7 9.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.69 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -93.06 -18.24 22.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.9 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 67.2 35.84 4.31 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.603 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.2 mt -118.27 147.25 43.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.826 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.7 141.66 51.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.156 0.503 . . . . 0.0 111.714 -174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -111.99 138.25 48.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.892 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -98.06 139.99 33.06 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.18 0.515 . . . . 0.0 111.465 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.567 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 54.6 mt -95.15 111.72 26.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 169.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -108.92 101.73 10.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 -170.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 60.65 45.02 10.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.884 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.38 -16.25 60.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.783 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 mm -108.31 108.42 61.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.745 0.273 . . . . 0.0 110.63 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 5.1 Cg_exo -77.28 117.53 4.4 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.229 2.619 . . . . 0.0 111.101 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 51' ' ' GLU . 10.8 t -84.83 87.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.266 0.555 . . . . 0.0 110.437 -177.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -95.14 96.62 9.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.451 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' HB2' ' CB ' ' A' ' 51' ' ' GLU . 95.2 mt -131.97 170.64 14.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.159 178.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.913 HG23 ' HD3' ' A' ' 15' ' ' LYS . 46.8 mt -70.27 -41.61 78.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.462 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -114.67 5.72 15.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.155 0.502 . . . . 0.0 111.392 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG2' ' CG1' ' A' ' 46' ' ' VAL . 9.8 tp10 -90.73 8.17 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.563 0.697 . . . . 0.0 110.024 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.02 128.69 34.35 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.859 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 t -100.67 155.99 17.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.015 0.436 . . . . 0.0 110.553 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.23 133.34 46.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.309 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 . . . . . 0 C--N 1.319 -0.751 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.71 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.26 147.19 38.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.583 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.627 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 12.2 m -71.38 152.84 94.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.803 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.666 ' HG3' ' HB3' ' A' ' 47' ' ' LEU . 3.0 Cg_exo -76.4 -3.79 14.24 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.726 2.284 . . . . 0.0 112.027 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -86.18 -75.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.287 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -106.54 0.3 24.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.276 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 43.5 tttp 59.0 33.21 22.9 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.266 -175.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.73 155.28 29.02 Favored Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.679 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.42 130.56 34.3 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.071 2.514 . . . . 0.0 112.824 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 29' ' ' LEU . 32.4 mt -79.3 134.52 36.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.974 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -84.69 110.34 18.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -87.2 119.04 27.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.576 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.6 mm? -89.29 121.35 31.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 172.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.34 -19.63 56.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 m -58.31 -63.88 1.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.089 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -126.29 24.71 6.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.173 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 54.49 72.79 0.44 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.4 mt -118.71 138.75 52.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.112 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 20' ' ' LEU . 96.5 mt -114.25 110.41 19.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.92 129.82 70.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.916 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -81.28 116.4 21.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 174.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.97 1.24 24.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.899 0.38 . . . . 0.0 111.473 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -102.83 -47.21 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.86 0.362 . . . . 0.0 111.268 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -101.06 -7.36 23.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.55 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 65.35 47.08 2.42 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.617 0.722 . . . . 0.0 110.119 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.9 mt -117.7 149.84 40.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.9 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.89 140.5 52.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.083 0.468 . . . . 0.0 111.336 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -119.34 146.33 45.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.457 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 39' ' ' ARG . 47.9 mtt180 -96.41 142.3 28.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.005 0.431 . . . . 0.0 110.882 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.462 HD11 ' HG ' ' A' ' 29' ' ' LEU . 67.0 mt -105.18 112.67 39.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.489 174.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -91.5 93.93 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.064 0.459 . . . . 0.0 110.76 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 59.77 16.23 5.42 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.204 174.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.13 -6.82 7.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.673 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -107.95 112.25 61.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.693 0.283 . . . . 0.0 110.573 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.54 118.14 5.5 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.586 2.191 . . . . 0.0 111.601 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.6 t -77.63 91.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.043 0.449 . . . . 0.0 110.269 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.666 ' HB3' ' HG3' ' A' ' 14' ' ' PRO . 94.4 mt -95.33 81.45 3.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.495 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 96.0 mt -128.87 149.91 50.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.617 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.8 mt -73.88 -40.84 53.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.823 0.344 . . . . 0.0 111.71 -174.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -82.49 -25.83 33.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.871 0.367 . . . . 0.0 111.132 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 4.3 mp0 -78.58 -15.21 58.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.792 0.329 . . . . 0.0 111.073 177.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.87 113.72 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.101 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.6 m -105.19 152.03 23.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.465 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.86 125.12 28.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.836 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.47 ' HA ' ' CE3' ' A' ' 55' ' ' TRP . 3.4 t-105 . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.046 0.45 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.76 144.41 50.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.604 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 43.3 t -72.08 123.07 88.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.042 175.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD2' ' OH ' ' A' ' 38' ' ' TYR . 52.3 Cg_exo -57.1 -10.65 6.29 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 123.385 2.723 . . . . 0.0 113.856 -177.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -79.64 -67.41 0.76 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.727 0.299 . . . . 0.0 111.234 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.66 4.28 14.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 111.707 -171.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 69.38 15.53 8.4 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.865 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.415 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -71.03 142.49 34.61 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.179 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 39.0 Cg_exo -61.15 141.28 93.12 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.137 2.558 . . . . 0.0 112.602 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 31' ' ' ASN . 91.4 mt -94.68 144.63 25.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.28 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -86.85 126.53 34.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -89.16 101.76 14.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.858 0.361 . . . . 0.0 110.768 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 9.3 mp -91.05 107.02 18.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.319 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.47 -9.22 58.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.51 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p -76.13 -62.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.472 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.94 13.48 30.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.291 -175.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 55.66 55.03 7.58 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.554 0.534 . . . . 0.0 110.218 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.6 mt -118.24 140.59 49.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.169 -175.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.96 108.33 18.05 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 169.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -114.81 124.92 71.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.068 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.503 ' HB2' HD23 ' A' ' 20' ' ' LEU . 34.3 t30 -93.16 114.72 27.3 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.22 -13.44 60.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.131 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -78.05 -29.22 49.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.2 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.29 -1.98 8.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 60.66 38.36 18.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.751 0.31 . . . . 0.0 110.74 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.496 HD13 ' HB1' ' A' ' 52' ' ' ALA . 99.0 mt -117.75 133.61 55.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.394 -177.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.12 139.24 53.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.641 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.449 ' OH ' ' HD2' ' A' ' 14' ' ' PRO . 56.2 m-85 -120.19 152.12 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.322 -0.854 . . . . 0.0 108.96 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -101.54 145.31 29.19 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.459 0.647 . . . . 0.0 111.907 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 60.9 mt -95.84 112.55 28.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.57 171.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -109.76 114.86 28.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.723 0.297 . . . . 0.0 110.836 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.3 t70 59.31 36.46 23.54 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.913 0.863 . . . . 0.0 110.537 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.63 -0.46 89.21 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.555 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.5 mt -107.63 110.85 62.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 40.3 Cg_endo -68.79 111.43 2.61 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.171 1.914 . . . . 0.0 111.321 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.545 HG12 ' HG3' ' A' ' 51' ' ' GLU . 42.0 t -78.75 89.36 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.262 0.553 . . . . 0.0 110.446 -177.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.9 mt -100.08 81.32 2.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.444 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.523 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 89.1 mt -118.1 152.9 34.69 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 mt -56.63 -49.01 79.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.869 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.28 13.22 12.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.934 0.397 . . . . 0.0 111.685 -175.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.545 ' HG3' HG12 ' A' ' 46' ' ' VAL . 66.3 mm-40 -93.95 -8.87 38.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 173.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HB1' HD13 ' A' ' 36' ' ' LEU . . . -70.17 98.37 1.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.893 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 p -94.32 143.37 26.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.005 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.15 123.96 26.19 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -172.151 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.236 0.386 0 CA-C-O 121.258 0.552 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.41 145.87 39.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.345 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 6.5 p -76.08 129.95 79.32 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 40.3 Cg_exo -57.14 -32.0 92.09 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.041 2.494 . . . . 0.0 112.781 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HD2' HG23 ' A' ' 49' ' ' ILE . 52.5 mtpt -77.06 -62.21 1.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.0 0.429 . . . . 0.0 111.713 -176.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.578 ' HB2' HD21 ' A' ' 34' ' ' LEU . 29.8 t70 -88.57 -21.95 23.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.694 -170.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? 67.74 20.16 9.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.14 0.495 . . . . 0.0 110.926 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.48 162.91 24.77 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.737 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.03 137.35 52.19 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.03 2.487 . . . . 0.0 112.465 -177.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' A' ' 13' ' ' CYS . 85.7 mt -89.75 134.8 33.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.797 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -84.8 129.0 34.88 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.507 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 36.7 t80 -95.02 117.89 30.91 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.352 -173.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -105.53 98.86 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.012 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 4.6 mp0 -62.76 -38.53 90.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 m -51.77 -38.58 56.07 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -173.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -132.71 11.5 4.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.276 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.549 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 32.2 mm-40 56.94 62.46 2.24 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.256 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.25 147.79 52.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.021 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -118.42 110.51 17.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.849 174.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.7 t -118.72 134.09 63.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.909 -174.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -104.81 124.99 50.4 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.18 -43.23 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.306 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -87.73 15.11 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.991 -174.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 16' ' ' ASP . 36.2 mt -124.06 -30.66 3.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.263 172.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 65.02 26.78 12.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.449 0.642 . . . . 0.0 109.797 -173.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.44 HD13 ' HB1' ' A' ' 52' ' ' ALA . 88.5 mt -118.31 147.01 43.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.251 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.25 138.05 54.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.829 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -109.54 141.47 41.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -90.67 144.2 25.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.251 0.548 . . . . 0.0 111.563 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.549 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 69.1 mt -107.69 112.37 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.037 175.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -94.91 107.07 19.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.744 0.307 . . . . 0.0 110.88 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.5 t70 62.21 19.61 11.09 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.808 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.69 -2.34 34.14 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.249 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.22 107.69 60.8 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.63 112.49 3.57 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.088 2.525 . . . . 0.0 111.829 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.19 97.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.098 0.475 . . . . 0.0 109.892 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.7 mt -93.51 89.35 6.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.71 154.36 50.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.91 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.442 HG23 ' HD2' ' A' ' 15' ' ' LYS . 42.3 mt -76.49 -18.81 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.986 0.898 . . . . 0.0 108.948 177.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.14 -18.98 61.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.376 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -104.24 13.22 32.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.639 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.44 ' HB1' HD13 ' A' ' 36' ' ' LEU . . . -79.14 110.35 14.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.985 0.422 . . . . 0.0 111.526 -175.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.3 p -112.95 141.58 46.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.432 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HA ' HD23 ' A' ' 36' ' ' LEU . 33.4 tt0 -76.7 131.35 38.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -169.39 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.588 ' HB1' ' HA ' ' A' ' 17' ' ' LYS . . . -133.37 155.3 49.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.066 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.55 ' SG ' HD21 ' A' ' 20' ' ' LEU . 33.5 m -72.5 145.53 87.73 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.58 16.86 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 123.045 2.497 . . . . 0.0 113.079 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -135.99 -64.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.262 0.553 . . . . 0.0 109.586 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.81 -38.07 73.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.342 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.588 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.2 mtpp 62.26 21.24 12.35 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.865 0.364 . . . . 0.0 111.429 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.69 -169.26 35.45 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.382 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -75.62 134.68 17.09 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.854 2.369 . . . . 0.0 113.42 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.55 HD21 ' SG ' ' A' ' 13' ' ' CYS . 74.8 mt -102.69 138.04 40.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.356 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.9 mtm105 -84.99 125.25 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -90.86 105.63 17.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.594 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.69 109.36 16.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -74.76 -37.77 62.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.462 0.649 . . . . 0.0 110.78 -175.832 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -71.42 -32.91 68.92 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.906 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -105.73 -16.0 14.8 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 59.61 49.71 8.09 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.27 0.557 . . . . 0.0 112.009 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.4 mt -136.3 156.76 48.19 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.856 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 59.3 mt -110.37 110.2 20.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.829 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.586 HG22 ' HB2' ' A' ' 37' ' ' ALA . 44.3 t -113.36 127.27 70.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.807 0.336 . . . . 0.0 111.427 -173.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -92.96 117.53 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -62.08 -26.72 68.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.37 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -89.85 -9.22 49.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.537 -175.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.6 mt -117.44 -20.46 9.07 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.7 m120 63.64 24.53 13.97 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.313 0.578 . . . . 0.0 110.799 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.96 147.93 43.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.464 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -122.25 136.37 54.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.602 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -99.61 149.58 23.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.169 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 39' ' ' ARG . 51.0 mtt180 -82.32 140.05 33.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.822 -173.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.9 mt -103.71 111.17 32.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 168.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -103.35 98.65 8.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -171.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 55.46 31.89 17.85 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.28 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.03 -11.85 40.86 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.941 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.9 mt -108.42 116.34 56.57 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 122.466 -0.432 . . . . 0.0 110.52 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.48 120.25 6.81 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.606 2.204 . . . . 0.0 112.401 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.3 t -93.41 99.19 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.063 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.3 mt -94.13 77.35 4.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.2 mt -134.24 144.15 48.23 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.17 -41.83 84.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.812 0.339 . . . . 0.0 111.757 -173.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.93 -17.07 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.697 0.284 . . . . 0.0 110.978 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -90.76 -7.0 53.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.04 165.79 22.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.347 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -128.77 153.23 47.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.451 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -80.62 128.14 33.27 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.705 0.288 . . . . 0.0 110.496 -175.03 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.235 0.306 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.28 167.78 21.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.71 0.29 . . . . 0.0 111.444 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.619 ' SG ' HD21 ' A' ' 20' ' ' LEU . 75.9 m -86.47 157.73 55.39 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.995 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.11 14.89 2.23 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.637 2.225 . . . . 0.0 113.24 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -120.71 -69.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.665 0.269 . . . . 0.0 111.057 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -89.27 -23.31 22.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.195 0.521 . . . . 0.0 109.88 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 68.4 tttt 61.8 35.5 16.64 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.683 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.465 ' HA3' ' NH1' ' A' ' 33' ' ' ARG . . . -89.51 164.02 31.53 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.26 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.32 120.14 7.38 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.112 2.541 . . . . 0.0 112.584 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.619 HD21 ' SG ' ' A' ' 13' ' ' CYS . 51.7 mt -75.34 143.36 42.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.261 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -84.63 124.32 31.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -91.96 122.07 34.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.05 0.453 . . . . 0.0 111.04 -171.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.7 mm? -96.03 109.42 21.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.669 173.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.56 -30.56 71.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.796 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 p -51.58 -63.55 1.1 Allowed 'General case' 0 C--O 1.237 0.414 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -124.28 21.58 8.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -176.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 53.57 72.61 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.473 0.654 . . . . 0.0 110.631 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 92.6 mt -120.23 148.99 42.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.717 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' A' ' 20' ' ' LEU . 95.6 mt -122.33 109.81 14.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.286 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -111.18 128.59 67.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.84 0.352 . . . . 0.0 110.578 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -92.41 116.72 29.23 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -81.57 1.66 32.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.082 0.467 . . . . 0.0 111.003 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' NH1' ' HA3' ' A' ' 18' ' ' GLY . 91.7 mtt180 -89.92 -63.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.177 0.513 . . . . 0.0 110.106 172.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.91 -8.86 58.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.153 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 63.47 30.52 15.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.449 0.643 . . . . 0.0 109.961 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD13 ' HB1' ' A' ' 52' ' ' ALA . 98.3 mt -118.05 150.04 39.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.317 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.85 141.23 52.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.444 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -116.69 147.21 42.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.157 174.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -101.42 140.93 35.04 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.735 0.303 . . . . 0.0 111.221 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 67.4 mt -94.6 113.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -99.62 100.15 11.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.6 t70 47.01 64.9 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.56 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.63 -17.99 41.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.667 176.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.4 mt -109.75 109.86 59.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 117.273 0.536 . . . . 0.0 111.345 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.51 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 45.2 Cg_endo -70.52 109.64 2.51 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.414 2.076 . . . . 0.0 111.48 175.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.8 t -78.06 99.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.658 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.0 mt -101.13 75.66 1.67 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.208 0.528 . . . . 0.0 110.765 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.4 mt -123.14 138.28 54.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.971 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.98 -34.71 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 110.554 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -69.56 -27.39 65.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.906 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -84.74 -17.54 38.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.757 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB1' HD13 ' A' ' 36' ' ' LEU . . . -63.67 109.48 1.7 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.677 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -117.19 151.44 36.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.307 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -73.63 134.02 43.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.561 -175.569 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.639 HD13 HD11 ' A' ' 29' ' ' LEU . 78.3 mt . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.97 155.25 49.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.877 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.26 132.83 92.72 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.646 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.96 -31.3 91.3 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 122.727 2.285 . . . . 0.0 112.869 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -91.7 -53.23 4.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.758 0.313 . . . . 0.0 111.09 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -84.95 -24.07 28.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.165 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 66.0 13.82 9.27 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.788 0.435 . . . . 0.0 111.382 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -82.15 147.92 26.43 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.958 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 29.3 Cg_exo -61.69 126.0 18.01 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.912 2.408 . . . . 0.0 112.036 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 82.4 mt -84.35 140.21 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.254 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -84.95 124.26 31.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -86.25 111.14 20.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.696 -173.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.6 100.37 13.19 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -65.92 -42.09 90.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.953 -172.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -60.77 -32.88 72.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.311 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -114.61 -1.43 13.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -173.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 60.82 40.87 15.4 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.395 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -118.01 144.25 45.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.004 0.43 . . . . 0.0 111.539 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 11' ' ' LEU . 95.4 mt -110.91 110.95 21.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.408 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -110.18 125.84 67.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.916 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.499 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . 38.0 t30 -97.66 115.75 28.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.98 -15.24 62.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.334 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.15 -28.08 57.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.321 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -120.49 -7.06 9.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 60.92 33.1 19.97 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.449 0.642 . . . . 0.0 110.134 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.5 mt -117.98 147.37 43.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.384 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.83 135.89 54.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.288 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -109.35 140.57 42.88 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -97.42 143.37 28.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.1 mt -108.85 127.83 65.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.081 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -119.88 93.07 3.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 44.75 73.83 0.14 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.233 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.57 -12.49 58.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.268 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.2 mt -107.76 104.55 53.51 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.907 0.384 . . . . 0.0 110.589 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.59 113.2 2.54 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.017 2.478 . . . . 0.0 111.046 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.678 HG13 HD23 ' A' ' 48' ' ' LEU . 58.5 t -75.7 87.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.124 0.488 . . . . 0.0 110.142 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.0 mt -95.73 40.54 1.11 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.486 0.66 . . . . 0.0 110.185 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.678 HD23 HG13 ' A' ' 46' ' ' VAL . 4.0 mm? -84.86 130.16 34.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.59 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.3 mt -78.06 -34.55 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 0.0 111.019 -173.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.33 -27.7 38.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -86.78 -18.74 30.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.69 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.19 145.28 47.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 0.0 111.074 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -122.94 143.53 49.84 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.955 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.6 124.29 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.065 0.46 . . . . 0.0 110.217 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.311 -175.571 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 29' ' ' LEU . 37.6 mt . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.975 0.416 . . . . 0.0 111.647 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.96 150.41 43.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.246 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 58.7 m -69.15 144.03 94.74 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.876 0.369 . . . . 0.0 111.264 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.2 -1.74 11.81 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.594 2.196 . . . . 0.0 113.427 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.7 ' HD3' HG23 ' A' ' 49' ' ' ILE . 41.8 mtmt -104.53 -72.62 0.7 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.88 0.371 . . . . 0.0 111.41 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -90.59 -8.25 50.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.721 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 39.5 tptt 68.55 19.89 8.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.42 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.65 143.45 36.88 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.468 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.0 134.7 44.18 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.276 2.651 . . . . 0.0 112.555 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 31' ' ' ASN . 72.0 mt -92.49 135.94 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.744 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.3 ttm-85 -84.21 130.67 34.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -86.81 112.72 21.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.305 -176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.3 mm? -99.64 109.16 21.66 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.09 -14.28 61.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.944 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -50.32 -56.39 11.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.812 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -136.7 24.81 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.735 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 59.32 72.72 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 123.881 0.738 . . . . 0.0 110.258 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -129.67 148.79 51.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.421 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 11' ' ' LEU . 91.6 mt -115.97 109.88 18.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.472 HG22 ' HB2' ' A' ' 37' ' ' ALA . 44.0 t -112.88 121.84 65.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.265 -175.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.528 ' HB2' HD23 ' A' ' 20' ' ' LEU . 35.6 t30 -94.51 115.31 27.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -77.06 -17.71 58.57 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.889 -170.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -73.71 -26.18 60.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.53 -16.84 14.12 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.176 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.1 t30 67.08 26.88 8.81 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.764 0.792 . . . . 0.0 110.203 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.8 mt -118.56 149.53 41.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.573 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.472 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -122.9 141.26 52.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 0.0 111.352 -177.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -104.98 154.98 19.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.545 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -100.21 140.14 34.88 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.938 0.399 . . . . 0.0 111.84 -170.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.417 HD11 ' HG ' ' A' ' 29' ' ' LEU . 66.3 mt -117.99 112.66 39.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -110.41 95.65 5.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 50.28 73.93 0.24 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.856 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.431 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 76.46 -6.55 37.22 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.44 177.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.0 mt -108.8 101.75 45.23 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.18 0.49 . . . . 0.0 110.851 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 6.0 Cg_exo -78.77 108.03 2.36 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.991 2.461 . . . . 0.0 111.332 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 t -85.14 91.52 3.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -97.07 78.31 2.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.302 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.91 142.66 49.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.828 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.7 HG23 ' HD3' ' A' ' 15' ' ' LYS . 71.9 mt -59.34 -50.52 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 123.427 0.454 . . . . 0.0 111.374 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.41 -33.74 75.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.992 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.59 0.62 25.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -170.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.24 118.97 12.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.463 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 t -102.17 161.74 13.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -87.88 123.2 32.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.591 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.036 -177.023 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.991 0.424 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.34 150.08 52.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.638 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 42.1 t -66.64 135.13 94.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.309 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 22.9 Cg_exo -66.57 11.15 0.18 Allowed 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.516 2.811 . . . . 0.0 113.711 -178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -94.94 -79.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.24 55.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 111.133 -176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 66.43 25.24 10.28 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 167.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -70.04 119.18 8.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.461 176.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 31.8 Cg_exo -59.01 124.97 16.85 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.903 2.402 . . . . 0.0 112.963 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.43 137.91 31.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.049 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -106.74 128.22 54.04 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 24' ' ' GLU . 49.0 t80 -86.3 120.02 27.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.771 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mp -91.55 114.03 26.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.777 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 31.0 mt-10 -68.67 -10.83 58.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.367 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 p -74.36 -56.94 4.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.091 -177.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -112.13 7.31 19.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.456 -174.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.5 45.45 19.55 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.602 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.9 mt -118.45 155.95 29.89 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.3 mt -110.35 110.06 20.72 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.74 125.62 68.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.018 0.437 . . . . 0.0 110.729 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -76.7 115.79 16.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -79.43 -0.43 32.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.247 0.546 . . . . 0.0 111.27 -172.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -102.98 -58.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.22 -7.29 59.63 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.513 -173.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.68 44.26 14.52 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.643 0.735 . . . . 0.0 110.997 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.5 mt -118.4 146.48 44.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.567 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.0 128.85 53.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.11 0.481 . . . . 0.0 111.392 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -104.45 151.52 23.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.251 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -100.03 164.85 11.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.735 0.302 . . . . 0.0 111.057 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.58 125.98 74.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.21 103.68 12.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.669 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.9 t70 51.41 58.57 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.465 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.14 -10.98 51.52 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.593 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -109.93 115.33 55.3 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.106 0.453 . . . . 0.0 110.439 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.04 128.24 22.4 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.498 2.132 . . . . 0.0 111.985 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.588 HG13 HD23 ' A' ' 48' ' ' LEU . 56.5 t -90.52 99.26 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.894 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.62 39.26 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.245 0.545 . . . . 0.0 110.529 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.588 HD23 HG13 ' A' ' 46' ' ' VAL . 4.6 mm? -83.51 123.34 29.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.702 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.7 mt -55.02 -45.35 76.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.521 -174.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -77.47 -24.67 50.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.634 0.254 . . . . 0.0 111.67 -173.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -72.16 -22.2 61.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.881 0.372 . . . . 0.0 111.021 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.37 132.46 47.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.117 0.485 . . . . 0.0 110.748 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -118.48 153.88 33.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.034 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -65.9 133.76 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 . . . . . 0 C--N 1.322 -0.595 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.302 -173.84 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.74 152.53 51.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.3 p -74.35 141.84 77.54 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.11 -7.96 21.97 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.869 2.379 . . . . 0.0 113.398 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.502 ' HB2' HD11 ' A' ' 34' ' ' LEU . 29.5 mmtp -83.97 -83.58 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.912 0.387 . . . . 0.0 111.327 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.44 -5.76 51.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 3.8 tppp? 60.54 73.33 0.49 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.041 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.12 158.42 22.68 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.29 127.38 21.84 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' A' ' 29' ' ' LEU . 98.1 mt -80.75 145.11 31.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.849 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -89.64 118.47 29.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 24' ' ' GLU . 23.9 t80 -91.03 113.61 25.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.29 0.567 . . . . 0.0 111.28 -174.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 28' ' ' LEU . 58.6 tp -83.65 103.03 12.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.154 173.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 28.9 mt-10 -72.25 -26.29 61.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.727 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -62.29 -49.48 75.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.12 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.96 18.27 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -170.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 84.0 mm-40 56.24 71.77 0.54 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.329 0.393 . . . . 0.0 111.733 177.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD12 HD23 ' A' ' 23' ' ' LEU . 91.6 mt -138.64 141.45 39.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.683 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 20' ' ' LEU . 96.0 mt -111.03 109.35 19.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -116.11 134.24 60.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.624 0.249 . . . . 0.0 110.803 -174.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.492 HD21 ' HB2' ' A' ' 33' ' ' ARG . 43.3 t30 -111.84 115.58 29.25 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.927 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.0 -16.6 61.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.661 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HB2' HD21 ' A' ' 31' ' ' ASN . 65.3 mtp85 -70.92 -20.41 62.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.466 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 15' ' ' LYS . 67.2 mt -121.98 -16.94 7.43 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 m120 65.46 28.36 11.57 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.595 0.712 . . . . 0.0 110.255 -173.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.5 mt -118.78 146.84 44.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.005 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.22 140.88 52.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -108.75 145.02 35.79 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.916 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 39' ' ' ARG . 53.6 mtt180 -91.36 139.8 30.38 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.923 0.392 . . . . 0.0 111.704 -171.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 67.9 mt -102.75 111.14 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 167.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -116.61 104.15 11.1 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.879 -170.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.9 t70 56.65 67.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.353 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.42 -9.56 14.17 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.678 -0.692 . . . . 0.0 114.225 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 69.3 mt -121.32 114.85 31.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 117.438 0.619 . . . . 0.0 111.369 -177.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 10.1 Cg_exo -72.16 119.09 5.94 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.793 2.329 . . . . 0.0 111.124 173.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.5 95.46 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.054 0.454 . . . . 0.0 110.454 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.56 88.31 7.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.145 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -134.12 162.61 31.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.796 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.0 mt -77.57 -38.38 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.023 0.439 . . . . 0.0 110.247 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -75.21 -18.86 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.155 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -87.73 -7.25 57.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.089 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.16 117.15 8.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -106.88 149.47 27.4 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.913 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -74.58 124.45 26.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 120.776 0.322 . . . . 0.0 110.768 -175.224 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.725 HD13 HD22 ' A' ' 29' ' ' LEU . 69.9 mt . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.988 0.423 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.21 147.47 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.154 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.1 m -76.67 143.95 72.52 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.242 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.17 -24.19 32.65 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.608 2.205 . . . . 0.0 111.694 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.732 ' HD3' HG23 ' A' ' 49' ' ' ILE . 27.1 mmmt -92.43 -66.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.13 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -88.83 -20.21 24.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.266 -172.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 68.4 mttt 61.4 18.24 9.13 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.003 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.38 163.25 46.5 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.659 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.75 124.17 12.78 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.809 2.339 . . . . 0.0 111.952 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 76.4 mt -77.23 136.45 38.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.701 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -89.66 120.79 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -86.93 128.13 35.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.009 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 9.1 mp -102.11 116.89 33.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.925 173.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.95 -29.96 69.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.418 -174.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -59.1 -48.2 82.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -174.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -124.02 9.62 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -171.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 2.4 mp0 57.89 61.09 2.49 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.27 0.557 . . . . 0.0 109.921 -174.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 97.8 mt -117.08 139.13 51.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.791 -175.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.725 HD22 HD13 ' A' ' 11' ' ' LEU . 54.2 mt -110.57 108.69 18.72 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.66 125.05 70.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.56 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -84.12 115.7 22.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -76.39 -11.17 59.85 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.411 -172.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.45 -38.65 21.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.201 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.6 mt -107.56 -15.15 14.67 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 67.48 37.15 3.54 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.278 0.561 . . . . 0.0 110.896 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.78 146.54 43.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.137 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.7 139.39 54.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.141 0.496 . . . . 0.0 111.903 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -119.15 140.93 49.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 39' ' ' ARG . 9.7 mtm180 -97.79 148.84 22.97 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.729 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 59.8 mt -92.2 110.25 22.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 165.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -123.91 120.83 33.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.978 -168.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t0 61.63 28.43 17.61 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.719 0.771 . . . . 0.0 110.87 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.13 0.86 73.39 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.805 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -122.87 117.73 28.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.604 0.24 . . . . 0.0 110.784 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 16.9 Cg_exo -67.79 118.69 5.78 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.532 2.155 . . . . 0.0 111.046 173.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.37 80.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.33 0.586 . . . . 0.0 110.586 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.12 73.7 4.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.051 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 96.1 mt -121.08 127.01 51.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.732 HG23 ' HD3' ' A' ' 15' ' ' LYS . 78.5 mt -48.69 -59.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.261 -0.882 . . . . 0.0 112.932 -175.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -89.82 7.51 36.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.524 -172.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 48' ' ' LEU . 6.8 tp10 -102.24 -4.68 25.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.24 0.543 . . . . 0.0 109.702 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.28 140.59 57.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.9 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -114.82 149.03 37.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.997 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.1 128.99 37.08 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.174 -175.564 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 20' ' ' LEU . 97.5 mt . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.48 156.94 47.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.137 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 49.3 t -65.07 141.26 98.28 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.663 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 25.8 Cg_exo -64.36 -21.21 66.86 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.606 2.204 . . . . 0.0 112.94 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -79.92 -71.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 112.021 -177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -98.25 -9.84 24.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 -174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 88.1 mttt 61.62 35.17 17.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.727 -176.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -80.23 141.57 23.26 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.347 173.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 31.8 Cg_exo -58.57 136.35 73.53 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.069 2.513 . . . . 0.0 112.687 -178.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 11' ' ' LEU . 94.0 mt -83.67 133.12 34.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.922 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -84.66 118.78 24.6 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -89.33 114.07 25.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.061 0.458 . . . . 0.0 111.766 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 8.7 mp -90.96 104.15 16.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.455 174.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.27 -46.38 88.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.115 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 m -56.92 -49.7 74.83 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -172.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -107.0 7.63 29.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 55.37 58.53 4.55 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.214 0.53 . . . . 0.0 110.506 -178.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 97.8 mt -121.8 141.58 51.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.543 ' HB3' HD13 ' A' ' 20' ' ' LEU . 95.9 mt -114.68 109.79 18.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.952 175.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -116.96 117.95 57.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.012 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.503 ' HB2' HD23 ' A' ' 20' ' ' LEU . 26.1 t30 -76.74 115.74 16.78 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 174.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.14 -15.63 61.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.579 . . . . 0.0 110.945 -172.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -77.02 -30.25 55.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.728 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.3 mt -114.42 -10.91 12.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.081 0.467 . . . . 0.0 110.104 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 54.37 52.47 12.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.772 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.26 150.09 40.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.884 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.6 128.8 54.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.226 0.536 . . . . 0.0 111.83 -172.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -109.68 140.35 43.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.248 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -93.19 140.13 29.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.134 -175.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -99.2 112.2 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 171.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -126.91 126.73 43.75 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 64.8 13.81 8.73 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.882 0.848 . . . . 0.0 110.75 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.68 7.52 66.56 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.792 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.1 mt -107.86 115.59 58.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HB3' HD12 ' A' ' 29' ' ' LEU . 9.6 Cg_exo -71.94 105.38 1.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.562 2.174 . . . . 0.0 110.929 174.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.52 95.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.71 35.4 1.04 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.124 -176.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 91.1 mt -84.72 120.74 26.75 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.963 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.2 -34.85 65.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.191 0.52 . . . . 0.0 110.596 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.29 -28.57 69.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.18 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 3.8 mm-40 -93.67 -10.0 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.945 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.91 128.9 37.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.238 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 m -113.0 148.22 35.54 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.78 124.32 22.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 . . . . . 0 C--N 1.319 -0.746 0 CA-C-O 121.6 0.714 . . . . 0.0 112.014 -168.147 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.578 HD13 HD11 ' A' ' 47' ' ' LEU . 63.5 mt . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.664 0.269 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.43 173.15 11.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.758 0.313 . . . . 0.0 111.02 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 m -87.6 126.48 61.77 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.19 45.65 1.6 Allowed 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.185 2.59 . . . . 0.0 112.934 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -156.85 -73.52 0.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.569 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -91.56 -19.92 22.24 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt 59.64 48.45 9.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.082 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.16 -177.27 30.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.217 -0.902 . . . . 0.0 112.109 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.03 129.83 13.68 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.749 2.299 . . . . 0.0 113.114 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 29' ' ' LEU . 77.5 mt -88.24 128.5 35.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.897 176.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -89.76 115.99 27.53 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 33.6 t80 -94.11 132.72 38.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.468 . . . . 0.0 111.289 -173.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.54 106.5 15.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.707 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.575 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 1.6 mp0 -63.97 -27.34 69.06 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 m -68.91 -34.6 75.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.94 7.29 8.01 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.56 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 5.1 mp0 54.79 53.36 10.61 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.114 0.483 . . . . 0.0 111.276 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -118.94 139.26 51.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.214 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 20' ' ' LEU . 88.6 mt -110.41 108.43 18.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 172.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.95 125.33 69.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-O 120.985 0.421 . . . . 0.0 111.498 -172.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -95.74 114.07 25.77 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 170.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -82.54 -13.51 56.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.402 0.62 . . . . 0.0 110.434 -173.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -79.97 -36.02 36.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.371 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.9 mt -97.59 -15.78 20.33 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.058 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.71 28.97 7.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.548 0.689 . . . . 0.0 109.68 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.3 mt -118.4 140.02 50.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.621 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.98 139.84 53.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.007 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -110.7 138.92 46.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.149 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -100.6 142.75 31.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.919 0.39 . . . . 0.0 111.486 -173.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 62.3 mt -94.67 116.6 36.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 169.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -124.01 123.46 40.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.811 -173.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.4 t70 63.17 20.89 12.55 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.733 0.778 . . . . 0.0 111.348 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.66 -1.94 66.63 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.239 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.9 mt -110.92 116.71 51.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.704 0.288 . . . . 0.0 110.581 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 16.3 Cg_exo -68.63 109.93 2.2 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.53 2.153 . . . . 0.0 111.507 175.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.2 t -80.82 90.55 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.987 0.422 . . . . 0.0 109.987 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.578 HD11 HD13 ' A' ' 11' ' ' LEU . 72.2 mt -102.64 75.0 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.202 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 7.7 mp -120.25 145.85 46.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.123 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 mt -66.47 -46.26 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.837 -172.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -76.62 -32.1 57.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.276 0.56 . . . . 0.0 110.182 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 4.4 mp0 -78.77 -3.4 44.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.162 -175.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.61 127.11 29.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.075 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -104.31 146.23 29.1 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.46 138.82 36.63 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 -175.348 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 121.187 0.518 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.02 163.68 20.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.313 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.533 ' HB2' HD21 ' A' ' 20' ' ' LEU . 41.6 t -78.14 130.96 70.68 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.338 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 15.2 Cg_exo -69.84 35.72 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.735 2.957 . . . . 0.0 113.111 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 13' ' ' CYS . 41.3 mttm -120.11 -66.22 1.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.266 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -130.94 21.01 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -174.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? 66.42 19.7 10.94 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.608 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.469 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -69.04 130.08 24.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.872 177.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 28.3 Cg_exo -62.52 139.56 76.84 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.975 2.45 . . . . 0.0 112.66 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 13' ' ' CYS . 60.0 mt -99.43 152.04 20.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.033 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -85.19 119.61 25.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -86.45 109.11 18.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.359 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 28' ' ' LEU . 92.3 mt -83.71 113.71 21.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.783 175.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -22.27 31.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.277 0.56 . . . . 0.0 111.133 -176.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.91 -57.05 4.34 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.264 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -107.89 3.87 24.76 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 8.5 mp0 52.7 71.89 0.45 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.462 0.648 . . . . 0.0 112.517 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.767 ' HB2' HD12 ' A' ' 23' ' ' LEU . 95.8 mt -133.92 147.48 51.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.661 177.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' HB3' HD13 ' A' ' 20' ' ' LEU . 88.9 mt -110.68 109.23 19.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.61 125.62 72.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.851 0.357 . . . . 0.0 111.109 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -83.11 114.39 21.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 172.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -84.95 -6.16 59.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.178 0.513 . . . . 0.0 110.753 -172.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -97.31 -35.38 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.648 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.2 mt -102.1 -10.72 19.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.403 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 65.69 35.32 7.0 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.412 0.445 . . . . 0.0 111.236 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.4 mt -118.57 144.73 45.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.3 141.72 51.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.014 0.435 . . . . 0.0 111.714 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -117.43 155.01 30.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.109 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -97.69 163.15 12.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.223 0.535 . . . . 0.0 111.501 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.5 mt -121.45 133.86 66.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -121.23 99.48 6.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.631 0.253 . . . . 0.0 110.826 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.9 t70 53.34 59.11 4.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.6 173.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.37 -19.64 34.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.681 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.5 mt -107.59 115.18 59.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 117.118 0.459 . . . . 0.0 110.72 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -68.46 131.86 24.15 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.513 2.142 . . . . 0.0 111.499 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -93.01 100.55 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.121 0.486 . . . . 0.0 110.107 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -98.74 77.56 2.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.232 0.539 . . . . 0.0 110.569 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.75 124.82 49.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.332 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.89 -34.75 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.145 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -78.12 0.71 23.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.21 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -115.59 0.52 13.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.235 0.54 . . . . 0.0 110.064 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.43 109.16 6.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.855 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.5 p -102.43 149.5 24.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.142 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.32 134.79 52.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.11 0.481 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.7 t-105 . . . . . 0 C--N 1.317 -0.847 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.381 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.091 0.472 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.33 147.54 24.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.899 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.32 125.9 92.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -57.31 -38.39 94.95 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.718 2.278 . . . . 0.0 113.035 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -88.92 -54.37 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 111.204 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.537 ' HB2' HD11 ' A' ' 34' ' ' LEU . 12.2 t70 -81.06 -24.47 37.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.886 -172.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt 61.12 30.21 19.28 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 111.019 -177.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.48 -178.99 21.79 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.737 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.0 158.72 45.65 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 122.819 2.346 . . . . 0.0 112.805 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -116.56 136.39 53.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -86.94 122.46 30.82 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -90.92 116.32 28.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.434 -175.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.675 ' O ' ' HA ' ' A' ' 27' ' ' GLN . 3.7 mm? -82.97 136.78 34.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.522 172.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -95.29 -31.11 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -171.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.5 t -90.79 -47.86 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.493 0.663 . . . . 0.0 109.631 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.51 -29.58 52.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.789 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.675 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 38.5 mt-30 51.53 69.3 0.68 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.632 -176.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD22 ' HA ' ' A' ' 39' ' ' ARG . 79.6 mt -133.41 161.27 35.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.345 -1.298 . . . . 0.0 108.321 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HG ' HD11 ' A' ' 40' ' ' ILE . 98.3 mt -111.5 110.09 20.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 37' ' ' ALA . 31.9 t -116.07 129.21 72.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.625 -176.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -100.36 114.93 28.84 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -78.61 -6.84 56.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.356 -172.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.6 mtp85 -79.06 -31.19 44.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.814 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 16' ' ' ASP . 84.3 mt -104.53 -16.37 15.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.04 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 66.3 28.09 9.96 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 122.037 0.923 . . . . 0.0 109.257 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.704 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 99.0 mt -118.45 144.39 46.01 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.153 -177.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.418 ' CB ' HG22 ' A' ' 30' ' ' VAL . . . -121.76 140.63 52.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.282 -177.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -108.2 124.83 50.88 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.553 ' HA ' HD22 ' A' ' 28' ' ' LEU . 7.3 ptm180 -78.44 140.58 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.231 0.539 . . . . 0.0 111.277 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 ' HG ' ' A' ' 29' ' ' LEU . 60.6 mt -101.33 116.87 45.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.352 174.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -94.67 93.66 7.68 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.8 t70 46.48 72.81 0.21 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.803 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.32 -9.03 43.14 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.732 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.8 mt -115.93 104.28 52.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 117.383 0.591 . . . . 0.0 110.931 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 46.3 Cg_endo -69.7 123.31 10.0 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.575 2.183 . . . . 0.0 112.306 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.3 t -85.54 88.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.245 0.545 . . . . 0.0 109.825 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.78 68.74 10.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.785 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.27 121.17 38.09 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.9 mt -58.6 -40.05 77.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.434 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.01 -12.01 61.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.234 -177.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 -4.68 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.95 0.405 . . . . 0.0 110.683 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.704 ' HB1' ' HB3' ' A' ' 36' ' ' LEU . . . -69.16 110.83 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.614 -178.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -95.42 161.77 13.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.341 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.67 129.87 35.2 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.836 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 121.025 0.44 . . . . 0.0 110.659 -176.236 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD13 HD11 ' A' ' 29' ' ' LEU . 81.8 mt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.913 0.387 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.72 169.24 10.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.77 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.8 m -88.64 142.46 30.93 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.109 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.11 -6.13 18.47 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.709 2.272 . . . . 0.0 112.732 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -92.44 -69.77 0.73 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.582 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -120.51 12.26 11.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 110.816 -175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 93.0 mttt 51.36 34.52 11.98 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.818 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.58 166.24 54.09 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.708 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -68.96 143.55 55.12 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 123.221 2.614 . . . . 0.0 112.776 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 29' ' ' LEU . 88.1 mt -115.04 130.05 56.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.075 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -93.41 133.57 36.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -92.41 122.4 34.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.133 0.492 . . . . 0.0 111.585 -174.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -105.5 130.33 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.933 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -80.24 -7.49 59.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.084 -173.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 m -51.52 -57.91 7.75 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -135.9 23.3 3.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.538 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 2.3 mp0 61.06 75.49 0.41 Allowed 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.579 0.704 . . . . 0.0 109.171 -170.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.5 mt -121.29 144.42 48.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.797 -174.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 20' ' ' LEU . 95.9 mt -110.8 121.37 45.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.724 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.1 t -109.21 120.63 60.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.171 0.51 . . . . 0.0 110.472 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -78.48 116.21 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.661 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -91.43 25.76 2.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.622 0.725 . . . . 0.0 110.753 -173.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -115.73 -59.25 2.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.148 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -100.35 -6.28 26.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.924 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 64.83 67.22 0.55 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.242 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -135.26 160.97 36.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.525 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 55' ' ' TRP . . . -122.43 137.84 54.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.121 0.486 . . . . 0.0 111.702 -176.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.409 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 95.2 m-85 -115.0 145.43 42.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.121 174.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -100.78 140.71 34.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.387 -173.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 70.8 mt -106.92 121.72 60.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -92.99 94.49 8.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.657 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.8 t70 58.81 16.63 4.62 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.606 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.413 ' H ' HG22 ' A' ' 40' ' ' ILE . . . 126.98 -15.78 6.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.672 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 3.8 mp -107.01 114.84 61.06 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 44' ' ' ILE . 17.3 Cg_exo -66.45 128.51 19.38 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.017 2.478 . . . . 0.0 112.488 -177.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.45 84.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.9 mt -90.5 78.04 6.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.823 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 93.8 mt -116.74 139.51 50.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.469 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.8 mt -73.25 -32.9 39.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.031 0.443 . . . . 0.0 110.192 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.48 -26.18 60.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.992 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 7.2 mm-40 -92.78 3.95 54.71 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.262 -178.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.92 106.55 0.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 m -97.95 147.2 24.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.328 -173.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.51 124.35 29.4 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 56.8 t-105 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.368 -172.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.86 150.74 39.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 15' ' ' LYS . 17.9 t -65.08 125.99 90.35 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.345 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 22.2 Cg_exo -63.67 -15.6 49.71 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.824 2.349 . . . . 0.0 112.671 -177.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.464 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 52.3 tptt -83.12 -41.23 18.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.879 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -131.11 -2.82 3.97 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.066 -0.654 . . . . 0.0 112.292 -174.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 67.05 18.36 10.52 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.005 0.431 . . . . 0.0 111.234 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.05 137.43 19.91 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.718 -0.754 . . . . 0.0 111.544 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.24 133.6 50.61 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.65 2.233 . . . . 0.0 112.337 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 87.5 mt -80.26 127.1 31.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.558 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -84.31 126.22 32.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HE1' ' HG3' ' A' ' 24' ' ' GLU . 17.0 t80 -86.28 117.64 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.646 -174.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.64 116.39 31.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.382 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' HE1' ' A' ' 22' ' ' TYR . 58.5 mp0 -72.64 -15.22 61.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.942 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 m -48.5 -55.38 11.17 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.834 0.349 . . . . 0.0 111.733 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -132.71 19.82 4.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.07 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 56.61 74.15 0.41 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.644 -175.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.0 mt -122.27 147.22 46.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.612 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 97.3 mt -111.17 109.36 19.38 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 173.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -109.75 124.08 66.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.914 0.388 . . . . 0.0 111.665 -172.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -84.37 113.88 21.48 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 171.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -84.47 -10.59 57.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.064 -170.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -73.76 -34.63 64.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -115.46 1.18 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.17 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.6 t30 58.02 44.13 19.98 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.558 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -118.0 145.55 44.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.616 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 55' ' ' TRP . . . -120.99 128.29 52.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.217 0.532 . . . . 0.0 111.124 -176.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 47' ' ' LEU . 88.1 m-85 -102.51 135.0 44.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.946 -1.024 . . . . 0.0 108.579 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -98.15 140.16 32.88 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.26 0.552 . . . . 0.0 111.874 -171.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' A' ' 45' ' ' PRO . 65.2 mt -103.45 111.86 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -96.44 99.76 11.41 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -177.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.0 t0 44.92 55.44 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.026 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.12 -14.84 61.05 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.529 -0.843 . . . . 0.0 113.617 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -107.88 107.92 60.82 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.205 0.503 . . . . 0.0 110.776 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.463 ' HB3' HG12 ' A' ' 40' ' ' ILE . 96.5 Cg_endo -83.71 120.76 2.79 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.792 2.328 . . . . 0.0 112.535 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.9 t -95.06 113.99 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 82.9 mt -111.43 31.79 5.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.313 0.578 . . . . 0.0 110.891 -174.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 91.9 mt -88.98 135.35 33.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.861 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.467 HD12 ' H ' ' A' ' 49' ' ' ILE . 3.1 mp -58.89 -46.68 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -28.26 69.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.67 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 59.2 mm-40 -95.09 3.29 54.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.378 -177.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.19 142.88 27.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.284 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -115.74 150.01 37.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -73.83 132.39 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.441 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 50.9 t-105 . . . . . 0 C--N 1.32 -0.688 0 CA-C-O 121.32 0.581 . . . . 0.0 111.614 -170.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.9 mt . . . . . 0 C--O 1.235 0.317 0 CA-C-O 121.094 0.473 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.55 156.23 42.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.996 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' HD21 ' A' ' 20' ' ' LEU . 38.1 t -81.55 126.63 75.57 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.283 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.71 9.64 0.56 Allowed 'Trans proline' 0 N--CA 1.476 0.447 0 C-N-CA 122.973 2.448 . . . . 0.0 113.286 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -85.18 -42.02 15.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.861 0.362 . . . . 0.0 110.185 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -151.98 12.78 0.59 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.943 0.401 . . . . 0.0 111.389 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.7 tttt 65.48 32.81 9.22 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.8 0.809 . . . . 0.0 110.435 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.73 148.5 21.82 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.349 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.45 143.82 93.87 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.773 2.315 . . . . 0.0 113.026 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' A' ' 13' ' ' CYS . 95.5 mt -100.04 131.11 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.263 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -95.25 121.55 37.02 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -85.63 127.01 34.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.076 0.465 . . . . 0.0 110.913 -174.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -106.98 112.46 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.856 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.2 -12.66 42.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.973 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -63.17 -48.08 79.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.528 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -131.86 7.45 4.39 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -173.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 62.78 40.84 9.53 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.084 0.469 . . . . 0.0 110.826 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.11 157.97 25.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 84.4 mt -109.9 110.7 21.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.4 177.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' A' ' 37' ' ' ALA . 48.4 t -110.51 120.8 62.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.926 0.394 . . . . 0.0 110.635 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -73.19 119.52 17.55 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.23 -19.47 65.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.916 -171.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -88.64 -52.27 5.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.0 111.11 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.45 -19.87 32.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.876 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t30 66.33 38.11 4.57 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 122.092 0.949 . . . . 0.0 109.732 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -117.73 146.62 43.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.617 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -122.52 138.24 54.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.359 0.599 . . . . 0.0 111.994 -172.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -107.15 149.38 27.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.62 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 39' ' ' ARG . 40.0 mtt180 -101.0 141.83 33.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.518 -173.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -110.39 134.61 52.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -127.08 95.32 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.869 0.366 . . . . 0.0 110.425 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 51.73 72.53 0.37 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.942 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.72 -14.98 8.47 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.555 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.459 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 65.2 mt -108.36 112.48 61.03 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.958 0.379 . . . . 0.0 110.593 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 44' ' ' ILE . 6.1 Cg_exo -79.23 119.6 4.27 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.983 2.455 . . . . 0.0 111.856 178.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.542 HG13 HD23 ' A' ' 48' ' ' LEU . 65.5 t -77.84 96.88 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.46 38.23 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.268 -173.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.542 HD23 HG13 ' A' ' 46' ' ' VAL . 3.6 mm? -81.35 123.65 28.72 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.011 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.8 mt -58.87 -37.65 68.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.86 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.15 -8.04 57.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.167 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 22.5 mm-40 -107.09 4.88 27.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.46 126.69 30.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 m -111.38 148.63 32.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.101 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.84 128.93 34.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.205 -175.556 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.614 HD13 HD11 ' A' ' 29' ' ' LEU . 87.6 mt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.04 149.09 44.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.671 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 2.9 p -67.1 135.32 93.82 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.825 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 47' ' ' LEU . 36.1 Cg_endo -65.36 -25.96 56.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.899 2.4 . . . . 0.0 113.224 -175.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -90.99 -57.0 2.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.781 0.324 . . . . 0.0 111.616 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.633 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 16.5 t70 -84.86 -27.17 26.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.638 -172.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 tptt 65.04 17.96 11.29 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.216 0.607 . . . . 0.0 110.588 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.64 176.54 36.67 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.145 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.49 140.59 57.98 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.966 2.444 . . . . 0.0 112.639 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 13' ' ' CYS . 88.8 mt -110.35 138.93 46.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.428 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -89.97 124.4 34.71 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.487 ' HD1' ' HG3' ' A' ' 24' ' ' GLU . 31.9 t80 -86.2 109.55 18.98 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -85.57 95.13 9.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 176.564 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' HG3' ' HD1' ' A' ' 22' ' ' TYR . 1.9 mp0 -65.28 -24.53 67.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.432 -171.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -72.03 -30.71 65.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.283 -174.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -132.13 9.11 4.43 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.964 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 13.0 mp0 56.23 62.22 2.43 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.19 0.519 . . . . 0.0 110.902 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.5 mt -124.99 148.13 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.292 -178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 11' ' ' LEU . 95.8 mt -113.98 110.6 20.31 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.0 t -109.52 132.56 57.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.564 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.479 ' HB2' HD23 ' A' ' 20' ' ' LEU . 46.3 t30 -116.76 115.65 25.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.039 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.94 -23.79 67.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.817 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 33' ' ' ARG . 15.1 mtp180 -76.25 -13.69 60.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.017 -178.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.0 mt -121.5 -17.72 7.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.593 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.61 18.3 11.18 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.672 0.749 . . . . 0.0 109.254 -175.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 54' ' ' GLU . 88.0 mt -118.91 153.79 34.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.416 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.52 141.33 51.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.121 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -104.57 141.54 36.22 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 175.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 39' ' ' ARG . 30.0 mtm180 -93.55 139.46 30.73 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.964 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.461 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 66.3 mt -104.3 112.59 38.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 170.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -104.67 96.02 6.29 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.402 -174.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 47.89 71.61 0.33 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.952 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.45 -20.46 30.59 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.706 -0.679 . . . . 0.0 113.297 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.9 mt -110.1 107.65 58.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 117.209 0.504 . . . . 0.0 111.211 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 2.7 Cg_exo -75.36 109.94 3.01 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.862 2.375 . . . . 0.0 111.101 175.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.44 HG11 ' HG2' ' A' ' 51' ' ' GLU . 34.2 t -79.49 82.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.456 0.646 . . . . 0.0 110.141 -178.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.485 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 94.0 mt -87.36 79.27 8.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.316 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -129.36 141.17 51.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.873 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.9 -39.58 67.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.273 0.558 . . . . 0.0 110.089 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.36 -27.51 67.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.053 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HG2' HG11 ' A' ' 46' ' ' VAL . 11.8 tp10 -92.77 -9.24 41.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.727 -175.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.47 123.79 22.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 m -105.03 152.65 22.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.203 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.444 ' HA ' HD23 ' A' ' 36' ' ' LEU . 37.4 tt0 -76.29 124.48 27.57 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.347 -172.822 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 121.133 0.492 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.93 155.16 28.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.093 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 27.9 m -63.84 149.51 92.98 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.698 179.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.75 -27.05 26.98 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.248 1.965 . . . . 0.0 113.376 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -103.64 -70.84 0.75 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.657 -176.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.1 -25.43 59.79 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.769 0.319 . . . . 0.0 110.855 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 29.5 mtpt 66.31 27.8 10.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.813 176.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.403 ' HA3' ' NH1' ' A' ' 33' ' ' ARG . . . -77.72 162.56 50.61 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.12 171.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.55 118.93 5.84 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.653 2.235 . . . . 0.0 112.222 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.31 142.1 54.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.947 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -85.13 127.42 34.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -91.74 124.41 35.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.213 -175.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mp -107.87 113.84 27.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.295 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -62.24 -30.66 71.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.202 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -49.44 -70.15 0.1 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.248 -172.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -114.93 19.33 15.91 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.423 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 57.78 65.25 1.36 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.998 0.428 . . . . 0.0 110.252 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -128.31 146.8 50.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.205 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.4 mt -112.32 117.12 31.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.272 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -109.63 132.55 57.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -173.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -107.31 122.22 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -62.4 -41.36 98.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.361 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 3.0 mpt_? -72.48 -18.14 61.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -168.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 83.8 mt -121.37 -5.3 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.949 -177.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 66.4 t30 59.84 27.53 16.87 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.677 0.751 . . . . 0.0 110.263 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 34' ' ' LEU . 99.6 mt -119.06 157.26 28.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.712 -176.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.32 131.66 54.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.178 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -96.34 136.24 37.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.458 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' HD3' ' HG3' ' A' ' 51' ' ' GLU . 63.5 mtp180 -90.84 140.1 30.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.08 -168.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.46 111.48 36.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -106.31 96.16 6.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.967 0.413 . . . . 0.0 110.345 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 52.57 67.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.962 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.99 -13.15 39.34 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.645 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.07 107.75 60.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.945 0.373 . . . . 0.0 110.555 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.16 111.24 3.23 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.149 2.566 . . . . 0.0 111.575 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.6 t -86.02 97.99 6.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.88 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -91.01 43.24 1.14 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.195 0.521 . . . . 0.0 110.786 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -97.88 124.24 42.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.053 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.5 -31.63 53.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.997 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.11 -26.64 61.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' HG3' ' HD3' ' A' ' 39' ' ' ARG . 8.2 tp10 -91.31 -11.38 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.361 0.6 . . . . 0.0 110.174 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.87 138.57 41.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.381 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.2 t -109.81 161.25 15.63 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.117 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -70.8 124.84 25.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.781 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.834 -176.297 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 111.157 0.058 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m 64.94 -169.87 0.2 Allowed 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.334 0.396 . . . . 0.0 111.092 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.85 -175.57 0.16 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -133.47 86.54 40.11 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.185 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.37 -19.69 49.31 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.856 2.371 . . . . 0.0 112.774 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.92 -45.42 93.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.923 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -78.71 7.74 6.46 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.938 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.9 mt -120.49 -65.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.614 0.245 . . . . 0.0 110.992 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 63.67 -167.56 0.21 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.136 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 65.0 t -107.58 114.91 47.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.402 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD13 HD11 ' A' ' 29' ' ' LEU . 86.7 mt -107.63 112.76 25.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.179 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.91 154.45 28.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.494 -177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.563 ' HB2' HD21 ' A' ' 20' ' ' LEU . 36.8 t -67.45 136.75 93.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.792 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 37.4 Cg_exo -61.8 -26.63 79.7 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.878 2.386 . . . . 0.0 113.142 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.913 ' HD3' HG23 ' A' ' 49' ' ' ILE . 54.2 mtmt -100.0 -55.83 2.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.697 0.284 . . . . 0.0 111.539 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.89 -27.29 60.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.998 0.428 . . . . 0.0 110.877 -176.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 41.1 tptt 65.93 10.32 6.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.156 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.96 151.72 20.95 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.567 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.38 129.48 25.48 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.687 2.258 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 13' ' ' CYS . 75.6 mt -81.98 146.57 29.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.9 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -83.85 120.27 25.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -88.63 116.0 26.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.191 -172.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.6 mm? -94.0 112.51 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.14 -28.64 64.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.726 -173.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 m -65.83 -38.81 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -172.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.5 13.58 4.99 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.748 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.567 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 10.9 mp0 52.49 65.16 1.59 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.212 0.529 . . . . 0.0 111.541 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.2 mt -118.61 138.2 52.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.372 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 11' ' ' LEU . 88.8 mt -112.64 108.82 18.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.05 129.93 69.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.19 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -87.64 115.3 24.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 171.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -80.04 -7.08 58.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.35 0.595 . . . . 0.0 111.509 -169.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 33' ' ' ARG . 44.5 mtp180 -99.22 -36.7 9.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.69 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -93.06 -18.24 22.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.9 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 67.2 35.84 4.31 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.603 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.2 mt -118.27 147.25 43.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.826 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.7 141.66 51.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.156 0.503 . . . . 0.0 111.714 -174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -111.99 138.25 48.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.892 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -98.06 139.99 33.06 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.18 0.515 . . . . 0.0 111.465 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.567 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 54.6 mt -95.15 111.72 26.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 169.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -108.92 101.73 10.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 -170.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 60.65 45.02 10.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.884 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.38 -16.25 60.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.783 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 mm -108.31 108.42 61.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.745 0.273 . . . . 0.0 110.63 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 5.1 Cg_exo -77.28 117.53 4.4 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.229 2.619 . . . . 0.0 111.101 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 51' ' ' GLU . 10.8 t -84.83 87.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.266 0.555 . . . . 0.0 110.437 -177.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -95.14 96.62 9.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.451 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' HB2' ' CB ' ' A' ' 51' ' ' GLU . 95.2 mt -131.97 170.64 14.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.159 178.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.913 HG23 ' HD3' ' A' ' 15' ' ' LYS . 46.8 mt -70.27 -41.61 78.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.462 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -114.67 5.72 15.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.155 0.502 . . . . 0.0 111.392 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG2' ' CG1' ' A' ' 46' ' ' VAL . 9.8 tp10 -90.73 8.17 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.563 0.697 . . . . 0.0 110.024 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.02 128.69 34.35 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.859 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 t -100.67 155.99 17.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.015 0.436 . . . . 0.0 110.553 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.23 133.34 46.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.309 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -117.52 170.27 8.87 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.3 m -59.53 112.44 5.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.59 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -91.43 -159.46 0.08 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.077 2.518 . . . . 0.0 112.474 -176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -72.45 156.12 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.744 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -74.24 164.29 26.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 0.0 110.496 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 99.0 mt -100.53 -178.56 3.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.568 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.398 -178.109 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -106.72 110.12 22.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 66.54 108.94 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.763 174.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -134.53 88.11 30.12 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.098 175.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.53 -8.58 19.55 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.921 2.414 . . . . 0.0 112.306 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -74.74 -45.83 41.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.091 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.95 -29.88 67.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.208 175.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.2 mt -75.55 -44.77 41.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.19 -177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 62.44 -172.36 0.16 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.108 0.48 . . . . 0.0 110.394 -176.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.1 t -107.1 94.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 172.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.64 117.91 18.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.738 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.26 147.19 38.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.583 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.627 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 12.2 m -71.38 152.84 94.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.803 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.666 ' HG3' ' HB3' ' A' ' 47' ' ' LEU . 3.0 Cg_exo -76.4 -3.79 14.24 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.726 2.284 . . . . 0.0 112.027 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -86.18 -75.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.287 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -106.54 0.3 24.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.276 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 43.5 tttp 59.0 33.21 22.9 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.266 -175.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.73 155.28 29.02 Favored Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.679 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.42 130.56 34.3 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.071 2.514 . . . . 0.0 112.824 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 29' ' ' LEU . 32.4 mt -79.3 134.52 36.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.974 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -84.69 110.34 18.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -87.2 119.04 27.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.576 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.6 mm? -89.29 121.35 31.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 172.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.34 -19.63 56.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 m -58.31 -63.88 1.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.089 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -126.29 24.71 6.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.173 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 54.49 72.79 0.44 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.4 mt -118.71 138.75 52.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.112 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 20' ' ' LEU . 96.5 mt -114.25 110.41 19.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.92 129.82 70.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.916 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -81.28 116.4 21.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 174.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.97 1.24 24.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.899 0.38 . . . . 0.0 111.473 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -102.83 -47.21 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.86 0.362 . . . . 0.0 111.268 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -101.06 -7.36 23.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.55 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 65.35 47.08 2.42 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.617 0.722 . . . . 0.0 110.119 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.9 mt -117.7 149.84 40.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.9 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.89 140.5 52.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.083 0.468 . . . . 0.0 111.336 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -119.34 146.33 45.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.457 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 39' ' ' ARG . 47.9 mtt180 -96.41 142.3 28.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.005 0.431 . . . . 0.0 110.882 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.462 HD11 ' HG ' ' A' ' 29' ' ' LEU . 67.0 mt -105.18 112.67 39.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.489 174.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -91.5 93.93 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.064 0.459 . . . . 0.0 110.76 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 59.77 16.23 5.42 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.204 174.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.13 -6.82 7.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.673 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -107.95 112.25 61.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.693 0.283 . . . . 0.0 110.573 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.54 118.14 5.5 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.586 2.191 . . . . 0.0 111.601 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.6 t -77.63 91.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.043 0.449 . . . . 0.0 110.269 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.666 ' HB3' ' HG3' ' A' ' 14' ' ' PRO . 94.4 mt -95.33 81.45 3.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.495 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 96.0 mt -128.87 149.91 50.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.617 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.8 mt -73.88 -40.84 53.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.823 0.344 . . . . 0.0 111.71 -174.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -82.49 -25.83 33.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.871 0.367 . . . . 0.0 111.132 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 4.3 mp0 -78.58 -15.21 58.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.792 0.329 . . . . 0.0 111.073 177.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.87 113.72 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.101 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.6 m -105.19 152.03 23.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.465 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.86 125.12 28.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.836 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.47 ' HA ' ' CE3' ' A' ' 55' ' ' TRP . 3.4 t-105 -83.34 -168.34 2.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 m -36.89 128.57 0.74 Allowed Pre-proline 0 C--N 1.327 -0.4 0 C-N-CA 124.009 0.923 . . . . 0.0 112.79 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.16 153.31 21.83 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.248 2.632 . . . . 0.0 112.567 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -84.61 65.72 9.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.1 p30 51.23 165.64 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.533 1.533 . . . . 0.0 114.956 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.5 tp 49.94 48.18 22.19 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.433 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.85 0.834 . . . . 0.0 111.827 -173.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 120.572 0.225 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -115.1 156.91 24.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.819 0.342 . . . . 0.0 110.543 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.39 124.34 36.38 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -121.43 88.82 46.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.668 0.27 . . . . 0.0 110.326 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HA ' HD12 ' A' ' 8' ' ' LEU . 37.5 Cg_endo -65.53 -11.5 30.75 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.849 2.366 . . . . 0.0 113.019 -175.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -83.52 -44.35 14.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.8 -17.03 64.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.124 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 5' ' ' PRO . 95.3 mt -78.05 -41.58 35.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 56.13 -164.1 0.15 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.913 -178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.83 107.59 19.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.7 mt -110.26 105.57 14.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.046 0.45 . . . . 0.0 110.66 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.76 144.41 50.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.604 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 43.3 t -72.08 123.07 88.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.042 175.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD2' ' OH ' ' A' ' 38' ' ' TYR . 52.3 Cg_exo -57.1 -10.65 6.29 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 123.385 2.723 . . . . 0.0 113.856 -177.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -79.64 -67.41 0.76 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.727 0.299 . . . . 0.0 111.234 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.66 4.28 14.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 111.707 -171.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 69.38 15.53 8.4 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.865 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -71.03 142.49 34.61 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.179 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 39.0 Cg_exo -61.15 141.28 93.12 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.137 2.558 . . . . 0.0 112.602 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 31' ' ' ASN . 91.4 mt -94.68 144.63 25.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.28 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -86.85 126.53 34.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -89.16 101.76 14.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.858 0.361 . . . . 0.0 110.768 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 9.3 mp -91.05 107.02 18.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.319 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.47 -9.22 58.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.51 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p -76.13 -62.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.472 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.94 13.48 30.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.291 -175.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 55.66 55.03 7.58 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.554 0.534 . . . . 0.0 110.218 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.6 mt -118.24 140.59 49.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.169 -175.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.96 108.33 18.05 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 169.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -114.81 124.92 71.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.068 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.503 ' HB2' HD23 ' A' ' 20' ' ' LEU . 34.3 t30 -93.16 114.72 27.3 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.22 -13.44 60.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.131 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -78.05 -29.22 49.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.2 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.29 -1.98 8.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 60.66 38.36 18.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.751 0.31 . . . . 0.0 110.74 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.496 HD13 ' HB1' ' A' ' 52' ' ' ALA . 99.0 mt -117.75 133.61 55.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.394 -177.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.12 139.24 53.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.641 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.449 ' OH ' ' HD2' ' A' ' 14' ' ' PRO . 56.2 m-85 -120.19 152.12 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.322 -0.854 . . . . 0.0 108.96 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -101.54 145.31 29.19 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.459 0.647 . . . . 0.0 111.907 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 60.9 mt -95.84 112.55 28.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.57 171.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -109.76 114.86 28.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.723 0.297 . . . . 0.0 110.836 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.3 t70 59.31 36.46 23.54 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.913 0.863 . . . . 0.0 110.537 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.63 -0.46 89.21 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.555 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.5 mt -107.63 110.85 62.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 40.3 Cg_endo -68.79 111.43 2.61 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.171 1.914 . . . . 0.0 111.321 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG12 ' HG3' ' A' ' 51' ' ' GLU . 42.0 t -78.75 89.36 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.262 0.553 . . . . 0.0 110.446 -177.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.9 mt -100.08 81.32 2.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.444 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.523 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 89.1 mt -118.1 152.9 34.69 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 mt -56.63 -49.01 79.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.869 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.28 13.22 12.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.934 0.397 . . . . 0.0 111.685 -175.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.545 ' HG3' HG12 ' A' ' 46' ' ' VAL . 66.3 mm-40 -93.95 -8.87 38.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 173.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HB1' HD13 ' A' ' 36' ' ' LEU . . . -70.17 98.37 1.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.893 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 p -94.32 143.37 26.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.005 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.15 123.96 26.19 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -118.22 173.59 6.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -172.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.8 m -57.24 126.67 74.77 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.831 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.89 128.77 26.53 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.468 2.112 . . . . 0.0 111.783 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -64.96 118.24 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.692 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -75.24 -9.74 58.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.466 0.65 . . . . 0.0 111.302 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.12 76.43 10.22 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.984 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t 178.26 164.2 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.93 138.35 58.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -118.59 88.15 33.64 Favored Pre-proline 0 C--N 1.322 -0.61 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.525 -170.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.99 -3.79 13.91 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.537 2.158 . . . . 0.0 112.388 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -84.34 -26.2 28.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.268 0.556 . . . . 0.0 109.547 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.0 mt -83.99 5.36 25.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.729 172.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.2 mt -117.06 -36.61 3.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.971 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 66.68 -172.76 0.19 Allowed 'General case' 0 C--O 1.237 0.408 0 O-C-N 123.513 0.508 . . . . 0.0 111.144 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.0 t -82.99 96.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt -88.39 104.17 16.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.41 145.87 39.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.345 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 6.5 p -76.08 129.95 79.32 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 40.3 Cg_exo -57.14 -32.0 92.09 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.041 2.494 . . . . 0.0 112.781 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HD2' HG23 ' A' ' 49' ' ' ILE . 52.5 mtpt -77.06 -62.21 1.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.0 0.429 . . . . 0.0 111.713 -176.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.578 ' HB2' HD21 ' A' ' 34' ' ' LEU . 29.8 t70 -88.57 -21.95 23.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.694 -170.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? 67.74 20.16 9.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.14 0.495 . . . . 0.0 110.926 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.48 162.91 24.77 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.737 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.03 137.35 52.19 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.03 2.487 . . . . 0.0 112.465 -177.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' A' ' 13' ' ' CYS . 85.7 mt -89.75 134.8 33.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.797 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -84.8 129.0 34.88 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.507 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 36.7 t80 -95.02 117.89 30.91 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.352 -173.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -105.53 98.86 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.012 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 4.6 mp0 -62.76 -38.53 90.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 m -51.77 -38.58 56.07 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -173.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -132.71 11.5 4.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.276 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.549 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 32.2 mm-40 56.94 62.46 2.24 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.256 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.25 147.79 52.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.021 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -118.42 110.51 17.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.849 174.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.7 t -118.72 134.09 63.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.909 -174.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -104.81 124.99 50.4 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.18 -43.23 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.306 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -87.73 15.11 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.991 -174.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 16' ' ' ASP . 36.2 mt -124.06 -30.66 3.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.263 172.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 65.02 26.78 12.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.449 0.642 . . . . 0.0 109.797 -173.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.44 HD13 ' HB1' ' A' ' 52' ' ' ALA . 88.5 mt -118.31 147.01 43.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.251 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.25 138.05 54.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.829 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -109.54 141.47 41.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -90.67 144.2 25.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.251 0.548 . . . . 0.0 111.563 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.549 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 69.1 mt -107.69 112.37 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.037 175.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -94.91 107.07 19.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.744 0.307 . . . . 0.0 110.88 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.5 t70 62.21 19.61 11.09 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.808 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.69 -2.34 34.14 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.249 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.22 107.69 60.8 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.63 112.49 3.57 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.088 2.525 . . . . 0.0 111.829 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.19 97.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.098 0.475 . . . . 0.0 109.892 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.7 mt -93.51 89.35 6.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.71 154.36 50.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.91 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.442 HG23 ' HD2' ' A' ' 15' ' ' LYS . 42.3 mt -76.49 -18.81 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.986 0.898 . . . . 0.0 108.948 177.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.14 -18.98 61.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.376 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -104.24 13.22 32.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.639 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.44 ' HB1' HD13 ' A' ' 36' ' ' LEU . . . -79.14 110.35 14.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.985 0.422 . . . . 0.0 111.526 -175.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.3 p -112.95 141.58 46.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.432 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HA ' HD23 ' A' ' 36' ' ' LEU . 33.4 tt0 -76.7 131.35 38.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -135.97 123.51 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 50.3 m 71.14 107.37 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 169.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -95.04 112.97 0.16 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.802 3.002 . . . . 0.0 111.452 169.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -84.23 151.81 24.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.571 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -59.49 112.21 1.69 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 111.301 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.7 mt -99.92 173.91 6.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.03 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 120.936 0.398 . . . . 0.0 110.999 -176.655 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 m -77.99 95.74 4.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.208 -175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 tp -82.78 124.1 29.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -120.6 93.14 48.34 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.579 -175.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.04 13.07 0.03 OUTLIER 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 124.324 3.35 . . . . 0.0 115.846 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -70.93 -18.27 62.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.412 0.625 . . . . 0.0 109.613 170.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -89.99 5.28 47.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.527 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.9 mt -122.23 136.61 54.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.205 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -155.85 155.09 32.33 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.96 93.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.273 0.558 . . . . 0.0 109.518 174.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -101.49 135.05 43.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.686 -175.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.588 ' HB1' ' HA ' ' A' ' 17' ' ' LYS . . . -133.37 155.3 49.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.066 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.55 ' SG ' HD21 ' A' ' 20' ' ' LEU . 33.5 m -72.5 145.53 87.73 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.58 16.86 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 123.045 2.497 . . . . 0.0 113.079 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -135.99 -64.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.262 0.553 . . . . 0.0 109.586 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.81 -38.07 73.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.342 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.588 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.2 mtpp 62.26 21.24 12.35 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.865 0.364 . . . . 0.0 111.429 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.69 -169.26 35.45 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.382 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -75.62 134.68 17.09 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.854 2.369 . . . . 0.0 113.42 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.55 HD21 ' SG ' ' A' ' 13' ' ' CYS . 74.8 mt -102.69 138.04 40.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.356 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.9 mtm105 -84.99 125.25 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -90.86 105.63 17.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.594 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.69 109.36 16.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -74.76 -37.77 62.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.462 0.649 . . . . 0.0 110.78 -175.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -71.42 -32.91 68.92 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.906 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -105.73 -16.0 14.8 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 59.61 49.71 8.09 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.27 0.557 . . . . 0.0 112.009 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.4 mt -136.3 156.76 48.19 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.856 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 59.3 mt -110.37 110.2 20.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.829 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.586 HG22 ' HB2' ' A' ' 37' ' ' ALA . 44.3 t -113.36 127.27 70.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.807 0.336 . . . . 0.0 111.427 -173.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -92.96 117.53 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -62.08 -26.72 68.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.37 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -89.85 -9.22 49.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.537 -175.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.6 mt -117.44 -20.46 9.07 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.7 m120 63.64 24.53 13.97 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.313 0.578 . . . . 0.0 110.799 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.96 147.93 43.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.464 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -122.25 136.37 54.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.602 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -99.61 149.58 23.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.169 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 39' ' ' ARG . 51.0 mtt180 -82.32 140.05 33.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.822 -173.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.9 mt -103.71 111.17 32.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 168.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -103.35 98.65 8.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -171.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 55.46 31.89 17.85 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.28 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.03 -11.85 40.86 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.941 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.9 mt -108.42 116.34 56.57 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 122.466 -0.432 . . . . 0.0 110.52 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.48 120.25 6.81 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.606 2.204 . . . . 0.0 112.401 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.3 t -93.41 99.19 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.063 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.3 mt -94.13 77.35 4.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.2 mt -134.24 144.15 48.23 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.17 -41.83 84.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.812 0.339 . . . . 0.0 111.757 -173.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.93 -17.07 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.697 0.284 . . . . 0.0 110.978 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -90.76 -7.0 53.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.04 165.79 22.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.347 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -128.77 153.23 47.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.451 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -80.62 128.14 33.27 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -141.11 127.76 20.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.705 0.288 . . . . 0.0 110.496 -175.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.3 m 61.65 83.64 0.2 Allowed Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.945 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.89 174.97 7.05 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.235 2.624 . . . . 0.0 111.163 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -91.16 135.19 33.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.224 0.535 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -89.9 175.01 7.37 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.08 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 60' ' ' LEU . 2.4 pt? -74.85 7.15 3.34 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.316 0.579 . . . . 0.0 111.002 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.536 176.283 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -145.53 139.92 27.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.738 0.304 . . . . 0.0 110.748 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.579 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 8.0 tt -93.63 142.7 27.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 176.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.31 89.38 8.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.754 0.312 . . . . 0.0 111.589 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.579 ' HD3' ' O ' ' A' ' 3' ' ' LEU . 4.1 Cg_exo -74.95 -1.52 11.31 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.886 2.39 . . . . 0.0 112.154 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -84.58 -42.82 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.297 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -71.27 -26.89 63.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.703 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -85.12 -53.02 5.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.476 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.516 ' HG2' ' H ' ' A' ' 10' ' ' VAL . 9.4 tt0 60.22 -164.96 0.22 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.547 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.516 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 43.3 t -93.05 103.35 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.832 0.348 . . . . 0.0 111.457 -174.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.11 110.91 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.28 167.78 21.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.71 0.29 . . . . 0.0 111.444 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.619 ' SG ' HD21 ' A' ' 20' ' ' LEU . 75.9 m -86.47 157.73 55.39 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.995 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.11 14.89 2.23 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.637 2.225 . . . . 0.0 113.24 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -120.71 -69.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.665 0.269 . . . . 0.0 111.057 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -89.27 -23.31 22.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.195 0.521 . . . . 0.0 109.88 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 68.4 tttt 61.8 35.5 16.64 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.683 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.465 ' HA3' ' NH1' ' A' ' 33' ' ' ARG . . . -89.51 164.02 31.53 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.26 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.32 120.14 7.38 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.112 2.541 . . . . 0.0 112.584 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.619 HD21 ' SG ' ' A' ' 13' ' ' CYS . 51.7 mt -75.34 143.36 42.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.261 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -84.63 124.32 31.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -91.96 122.07 34.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.05 0.453 . . . . 0.0 111.04 -171.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.7 mm? -96.03 109.42 21.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.669 173.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.56 -30.56 71.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.796 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 p -51.58 -63.55 1.1 Allowed 'General case' 0 C--O 1.237 0.414 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -124.28 21.58 8.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -176.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 53.57 72.61 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.473 0.654 . . . . 0.0 110.631 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 92.6 mt -120.23 148.99 42.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.717 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' A' ' 20' ' ' LEU . 95.6 mt -122.33 109.81 14.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.286 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -111.18 128.59 67.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.84 0.352 . . . . 0.0 110.578 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -92.41 116.72 29.23 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -81.57 1.66 32.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.082 0.467 . . . . 0.0 111.003 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' NH1' ' HA3' ' A' ' 18' ' ' GLY . 91.7 mtt180 -89.92 -63.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.177 0.513 . . . . 0.0 110.106 172.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.91 -8.86 58.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.153 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 63.47 30.52 15.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.449 0.643 . . . . 0.0 109.961 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD13 ' HB1' ' A' ' 52' ' ' ALA . 98.3 mt -118.05 150.04 39.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.317 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.85 141.23 52.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.444 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -116.69 147.21 42.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.157 174.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -101.42 140.93 35.04 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.735 0.303 . . . . 0.0 111.221 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 67.4 mt -94.6 113.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -99.62 100.15 11.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.6 t70 47.01 64.9 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.56 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.63 -17.99 41.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.667 176.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.4 mt -109.75 109.86 59.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 117.273 0.536 . . . . 0.0 111.345 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.51 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 45.2 Cg_endo -70.52 109.64 2.51 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.414 2.076 . . . . 0.0 111.48 175.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.8 t -78.06 99.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.658 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.0 mt -101.13 75.66 1.67 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.208 0.528 . . . . 0.0 110.765 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.4 mt -123.14 138.28 54.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.971 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.98 -34.71 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 110.554 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -69.56 -27.39 65.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.906 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -84.74 -17.54 38.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.757 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB1' HD13 ' A' ' 36' ' ' LEU . . . -63.67 109.48 1.7 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.677 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -117.19 151.44 36.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.307 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -73.63 134.02 43.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -141.25 140.17 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.561 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.5 m 67.34 92.82 0.06 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 121.613 0.72 . . . . 0.0 112.352 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -82.58 143.96 12.38 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 123.202 2.601 . . . . 0.0 111.224 171.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -99.89 136.64 39.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.856 0.36 . . . . 0.0 110.929 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -96.16 109.77 22.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.8 119.01 11.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.808 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--N 1.328 -0.334 0 O-C-N 124.232 0.957 . . . . 0.0 112.359 -172.391 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtm . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.414 0.149 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m 60.36 26.05 15.58 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.274 0.559 . . . . 0.0 110.565 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 54.6 tp -143.4 155.79 44.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.153 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -114.09 89.28 16.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.554 0.216 . . . . 0.0 111.433 -176.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 3' ' ' LEU . 11.7 Cg_exo -70.97 2.09 4.56 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.97 2.447 . . . . 0.0 112.796 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -86.46 -47.68 9.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.43 -28.99 68.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.734 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.3 mt -82.03 104.8 12.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.139 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -119.75 177.5 4.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.164 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.3 t -73.0 100.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.178 0.513 . . . . 0.0 109.845 176.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.639 HD13 HD11 ' A' ' 29' ' ' LEU . 78.3 mt -111.19 123.27 49.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.696 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.97 155.25 49.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.877 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.26 132.83 92.72 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.646 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.96 -31.3 91.3 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 122.727 2.285 . . . . 0.0 112.869 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -91.7 -53.23 4.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.758 0.313 . . . . 0.0 111.09 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -84.95 -24.07 28.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.165 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 66.0 13.82 9.27 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.788 0.435 . . . . 0.0 111.382 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -82.15 147.92 26.43 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.958 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 29.3 Cg_exo -61.69 126.0 18.01 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.912 2.408 . . . . 0.0 112.036 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 82.4 mt -84.35 140.21 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.254 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -84.95 124.26 31.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -86.25 111.14 20.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.696 -173.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.6 100.37 13.19 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -65.92 -42.09 90.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.953 -172.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -60.77 -32.88 72.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.311 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -114.61 -1.43 13.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -173.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 60.82 40.87 15.4 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.395 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -118.01 144.25 45.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.004 0.43 . . . . 0.0 111.539 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 11' ' ' LEU . 95.4 mt -110.91 110.95 21.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.408 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -110.18 125.84 67.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.916 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.499 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . 38.0 t30 -97.66 115.75 28.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.98 -15.24 62.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.334 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.15 -28.08 57.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.321 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -120.49 -7.06 9.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 60.92 33.1 19.97 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.449 0.642 . . . . 0.0 110.134 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.5 mt -117.98 147.37 43.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.384 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.83 135.89 54.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.288 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -109.35 140.57 42.88 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -97.42 143.37 28.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.1 mt -108.85 127.83 65.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.081 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -119.88 93.07 3.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 44.75 73.83 0.14 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.233 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.57 -12.49 58.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.268 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.2 mt -107.76 104.55 53.51 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.907 0.384 . . . . 0.0 110.589 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.59 113.2 2.54 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.017 2.478 . . . . 0.0 111.046 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.678 HG13 HD23 ' A' ' 48' ' ' LEU . 58.5 t -75.7 87.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.124 0.488 . . . . 0.0 110.142 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.0 mt -95.73 40.54 1.11 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.486 0.66 . . . . 0.0 110.185 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.678 HD23 HG13 ' A' ' 46' ' ' VAL . 4.0 mm? -84.86 130.16 34.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.59 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.3 mt -78.06 -34.55 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 0.0 111.019 -173.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.33 -27.7 38.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -86.78 -18.74 30.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.69 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.19 145.28 47.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 0.0 111.074 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -122.94 143.53 49.84 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.955 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.6 124.29 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.065 0.46 . . . . 0.0 110.217 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -111.31 122.72 48.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.311 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.0 m 56.99 87.96 0.13 Allowed Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 123.921 0.763 . . . . 0.0 111.197 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.17 89.67 0.25 Allowed 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.503 2.135 . . . . 0.0 111.866 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -71.04 -37.71 72.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.841 0.829 . . . . 0.0 109.765 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -113.47 145.94 40.37 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.454 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.592 ' H ' HD23 ' A' ' 60' ' ' LEU . 2.6 pt? -100.22 171.33 7.86 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 121.74 0.781 . . . . 0.0 111.455 -178.903 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.755 0.312 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 m -91.64 125.44 36.37 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 59.67 -166.95 0.17 Allowed 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.456 0.472 . . . . 0.0 110.636 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -115.72 87.77 18.76 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.914 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -62.24 -10.31 17.96 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.949 2.433 . . . . 0.0 112.786 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -74.09 -26.79 60.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.434 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.8 mt -79.99 -8.8 59.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.0 111.059 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.1 109.36 21.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.006 0.432 . . . . 0.0 111.271 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 24.7 mm-40 -115.67 -174.96 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.974 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -74.13 106.4 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 29' ' ' LEU . 37.6 mt -105.31 104.81 14.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.647 -172.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.96 150.41 43.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.246 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 58.7 m -69.15 144.03 94.74 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.876 0.369 . . . . 0.0 111.264 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.2 -1.74 11.81 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.594 2.196 . . . . 0.0 113.427 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.7 ' HD3' HG23 ' A' ' 49' ' ' ILE . 41.8 mtmt -104.53 -72.62 0.7 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.88 0.371 . . . . 0.0 111.41 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -90.59 -8.25 50.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.721 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 39.5 tptt 68.55 19.89 8.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.42 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.65 143.45 36.88 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.468 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.0 134.7 44.18 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.276 2.651 . . . . 0.0 112.555 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 31' ' ' ASN . 72.0 mt -92.49 135.94 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.744 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.3 ttm-85 -84.21 130.67 34.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -86.81 112.72 21.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.305 -176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.3 mm? -99.64 109.16 21.66 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.09 -14.28 61.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.944 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -50.32 -56.39 11.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.812 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -136.7 24.81 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.735 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 59.32 72.72 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 123.881 0.738 . . . . 0.0 110.258 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -129.67 148.79 51.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.421 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 11' ' ' LEU . 91.6 mt -115.97 109.88 18.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.472 HG22 ' HB2' ' A' ' 37' ' ' ALA . 44.0 t -112.88 121.84 65.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.265 -175.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.528 ' HB2' HD23 ' A' ' 20' ' ' LEU . 35.6 t30 -94.51 115.31 27.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -77.06 -17.71 58.57 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.889 -170.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -73.71 -26.18 60.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.53 -16.84 14.12 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.176 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.1 t30 67.08 26.88 8.81 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.764 0.792 . . . . 0.0 110.203 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.8 mt -118.56 149.53 41.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.573 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.472 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -122.9 141.26 52.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 0.0 111.352 -177.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -104.98 154.98 19.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.545 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -100.21 140.14 34.88 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.938 0.399 . . . . 0.0 111.84 -170.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.417 HD11 ' HG ' ' A' ' 29' ' ' LEU . 66.3 mt -117.99 112.66 39.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -110.41 95.65 5.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 50.28 73.93 0.24 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.856 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.431 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 76.46 -6.55 37.22 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.44 177.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.0 mt -108.8 101.75 45.23 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.18 0.49 . . . . 0.0 110.851 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 6.0 Cg_exo -78.77 108.03 2.36 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.991 2.461 . . . . 0.0 111.332 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 t -85.14 91.52 3.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -97.07 78.31 2.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.302 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.91 142.66 49.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.828 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.7 HG23 ' HD3' ' A' ' 15' ' ' LYS . 71.9 mt -59.34 -50.52 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 123.427 0.454 . . . . 0.0 111.374 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.41 -33.74 75.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.992 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.59 0.62 25.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -170.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.24 118.97 12.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.463 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 t -102.17 161.74 13.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -87.88 123.2 32.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.591 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 -136.17 129.97 32.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.036 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 15.0 t -142.52 135.36 13.83 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-O 120.965 0.412 . . . . 0.0 110.478 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 56' ' ' THR . 13.4 Cg_exo -70.6 171.95 14.4 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.695 2.264 . . . . 0.0 111.321 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 63.89 96.94 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.566 0.541 . . . . 0.0 110.678 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -84.39 95.15 8.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.044 0.449 . . . . 0.0 110.643 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.53 161.9 24.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.137 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 C--N 1.323 -0.547 0 CA-C-O 121.196 0.522 . . . . 0.0 111.32 -175.838 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m 75.04 138.76 0.06 Allowed 'General case' 0 C--O 1.238 0.459 0 O-C-N 123.862 0.726 . . . . 0.0 112.422 173.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 4' ' ' ASP . 28.7 tp -166.04 169.57 14.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.443 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.412 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 21.6 t70 -124.28 87.95 53.36 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 110.504 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.74 -6.78 19.41 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.892 2.394 . . . . 0.0 113.19 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.34 -41.64 98.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.01 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.35 -18.37 60.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.551 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.7 mt -87.83 -46.4 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.228 -171.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 61.49 -164.61 0.24 Allowed 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.199 0.312 . . . . 0.0 110.638 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.78 106.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.035 0.445 . . . . 0.0 110.025 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -89.44 104.25 16.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.779 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.34 150.08 52.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.638 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 42.1 t -66.64 135.13 94.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.309 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 22.9 Cg_exo -66.57 11.15 0.18 Allowed 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.516 2.811 . . . . 0.0 113.711 -178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -94.94 -79.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.24 55.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 111.133 -176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 66.43 25.24 10.28 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 167.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -70.04 119.18 8.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.461 176.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 31.8 Cg_exo -59.01 124.97 16.85 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.903 2.402 . . . . 0.0 112.963 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.43 137.91 31.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.049 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -106.74 128.22 54.04 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 24' ' ' GLU . 49.0 t80 -86.3 120.02 27.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.771 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mp -91.55 114.03 26.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.777 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 31.0 mt-10 -68.67 -10.83 58.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.367 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 p -74.36 -56.94 4.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.091 -177.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -112.13 7.31 19.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.456 -174.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.5 45.45 19.55 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.602 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.9 mt -118.45 155.95 29.89 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.3 mt -110.35 110.06 20.72 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.74 125.62 68.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.018 0.437 . . . . 0.0 110.729 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -76.7 115.79 16.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -79.43 -0.43 32.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.247 0.546 . . . . 0.0 111.27 -172.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -102.98 -58.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.22 -7.29 59.63 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.513 -173.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.68 44.26 14.52 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.643 0.735 . . . . 0.0 110.997 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.5 mt -118.4 146.48 44.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.567 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.0 128.85 53.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.11 0.481 . . . . 0.0 111.392 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -104.45 151.52 23.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.251 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -100.03 164.85 11.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.735 0.302 . . . . 0.0 111.057 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.58 125.98 74.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.21 103.68 12.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.669 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.9 t70 51.41 58.57 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.465 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.14 -10.98 51.52 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.593 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -109.93 115.33 55.3 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.106 0.453 . . . . 0.0 110.439 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.04 128.24 22.4 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.498 2.132 . . . . 0.0 111.985 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.588 HG13 HD23 ' A' ' 48' ' ' LEU . 56.5 t -90.52 99.26 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.894 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.62 39.26 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.245 0.545 . . . . 0.0 110.529 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.588 HD23 HG13 ' A' ' 46' ' ' VAL . 4.6 mm? -83.51 123.34 29.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.702 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.7 mt -55.02 -45.35 76.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.521 -174.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -77.47 -24.67 50.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.634 0.254 . . . . 0.0 111.67 -173.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -72.16 -22.2 61.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.881 0.372 . . . . 0.0 111.021 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.37 132.46 47.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.117 0.485 . . . . 0.0 110.748 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -118.48 153.88 33.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.034 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -65.9 133.76 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -103.99 128.06 51.54 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.302 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 m 64.84 95.69 0.05 OUTLIER Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.459 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.51 130.66 17.55 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.766 2.311 . . . . 0.0 110.863 172.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -120.92 118.61 30.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.677 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -68.48 110.86 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 110.585 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.9 mt -98.02 141.0 31.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 -176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t 63.42 -179.8 0.15 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.109 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 3' ' ' LEU . 3.3 mm? -122.42 101.89 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.851 0.358 . . . . 0.0 110.353 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' A' ' 6' ' ' GLN . 10.8 t70 -127.15 88.9 53.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.982 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.98 -6.79 11.82 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 123.381 2.721 . . . . 0.0 113.58 -176.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.515 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 22.4 tt0 -69.11 -47.9 63.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 110.405 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mp -72.73 -21.9 60.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.805 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.7 mt -80.86 -37.77 29.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.572 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 58.41 -165.63 0.17 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.316 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.31 105.47 18.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.9 mt -105.49 119.39 38.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.246 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.74 152.53 51.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.3 p -74.35 141.84 77.54 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.11 -7.96 21.97 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.869 2.379 . . . . 0.0 113.398 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' HB2' HD11 ' A' ' 34' ' ' LEU . 29.5 mmtp -83.97 -83.58 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.912 0.387 . . . . 0.0 111.327 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.44 -5.76 51.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 3.8 tppp? 60.54 73.33 0.49 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.041 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.12 158.42 22.68 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.29 127.38 21.84 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' A' ' 29' ' ' LEU . 98.1 mt -80.75 145.11 31.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.849 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -89.64 118.47 29.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 24' ' ' GLU . 23.9 t80 -91.03 113.61 25.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.29 0.567 . . . . 0.0 111.28 -174.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 28' ' ' LEU . 58.6 tp -83.65 103.03 12.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.154 173.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 28.9 mt-10 -72.25 -26.29 61.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.727 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -62.29 -49.48 75.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.12 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.96 18.27 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -170.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 84.0 mm-40 56.24 71.77 0.54 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.329 0.393 . . . . 0.0 111.733 177.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD12 HD23 ' A' ' 23' ' ' LEU . 91.6 mt -138.64 141.45 39.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.683 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 20' ' ' LEU . 96.0 mt -111.03 109.35 19.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -116.11 134.24 60.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.624 0.249 . . . . 0.0 110.803 -174.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.492 HD21 ' HB2' ' A' ' 33' ' ' ARG . 43.3 t30 -111.84 115.58 29.25 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.927 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.0 -16.6 61.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.661 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HB2' HD21 ' A' ' 31' ' ' ASN . 65.3 mtp85 -70.92 -20.41 62.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.466 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 15' ' ' LYS . 67.2 mt -121.98 -16.94 7.43 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 m120 65.46 28.36 11.57 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.595 0.712 . . . . 0.0 110.255 -173.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.5 mt -118.78 146.84 44.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.005 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.22 140.88 52.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -108.75 145.02 35.79 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.916 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 39' ' ' ARG . 53.6 mtt180 -91.36 139.8 30.38 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.923 0.392 . . . . 0.0 111.704 -171.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 67.9 mt -102.75 111.14 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 167.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -116.61 104.15 11.1 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.879 -170.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.9 t70 56.65 67.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.353 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.42 -9.56 14.17 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.678 -0.692 . . . . 0.0 114.225 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 69.3 mt -121.32 114.85 31.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 117.438 0.619 . . . . 0.0 111.369 -177.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 10.1 Cg_exo -72.16 119.09 5.94 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.793 2.329 . . . . 0.0 111.124 173.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.5 95.46 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.054 0.454 . . . . 0.0 110.454 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.56 88.31 7.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.145 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -134.12 162.61 31.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.796 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.0 mt -77.57 -38.38 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.023 0.439 . . . . 0.0 110.247 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -75.21 -18.86 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.155 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -87.73 -7.25 57.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.089 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.16 117.15 8.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -106.88 149.47 27.4 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.913 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -74.58 124.45 26.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -135.54 124.17 23.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.776 0.322 . . . . 0.0 110.768 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.5 m 61.74 87.82 0.13 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.828 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -86.74 162.48 9.19 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.505 2.137 . . . . 0.0 111.52 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -63.94 142.68 58.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -81.24 48.35 1.13 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.12 0.486 . . . . 0.0 110.591 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.3 tp 46.64 60.03 3.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.362 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.8 -172.822 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -139.39 143.79 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.439 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -84.33 93.0 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.452 ' OD1' ' HB2' ' A' ' 6' ' ' GLN . 14.1 t70 -120.94 90.02 46.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.438 -171.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.34 -22.81 43.21 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.099 2.532 . . . . 0.0 112.969 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.452 ' HB2' ' OD1' ' A' ' 4' ' ' ASP . 2.1 mp0 -64.49 -48.1 76.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.662 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.8 mt -81.24 1.23 33.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.387 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 93.6 mt -107.1 -48.81 3.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.567 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 30.3 mm-40 66.44 173.14 0.24 Allowed 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.567 0.542 . . . . 0.0 111.118 -176.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.0 t -89.71 96.93 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.725 HD13 HD22 ' A' ' 29' ' ' LEU . 69.9 mt -75.62 109.48 9.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.601 -173.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.21 147.47 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.154 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.1 m -76.67 143.95 72.52 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.242 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.17 -24.19 32.65 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.608 2.205 . . . . 0.0 111.694 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.732 ' HD3' HG23 ' A' ' 49' ' ' ILE . 27.1 mmmt -92.43 -66.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.13 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -88.83 -20.21 24.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.266 -172.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 68.4 mttt 61.4 18.24 9.13 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.003 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.38 163.25 46.5 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.659 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.75 124.17 12.78 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.809 2.339 . . . . 0.0 111.952 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 76.4 mt -77.23 136.45 38.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.701 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -89.66 120.79 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -86.93 128.13 35.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.009 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 9.1 mp -102.11 116.89 33.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.925 173.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.95 -29.96 69.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.418 -174.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -59.1 -48.2 82.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -174.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -124.02 9.62 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -171.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 2.4 mp0 57.89 61.09 2.49 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.27 0.557 . . . . 0.0 109.921 -174.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 97.8 mt -117.08 139.13 51.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.791 -175.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.725 HD22 HD13 ' A' ' 11' ' ' LEU . 54.2 mt -110.57 108.69 18.72 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.66 125.05 70.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.56 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -84.12 115.7 22.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -76.39 -11.17 59.85 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.411 -172.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.45 -38.65 21.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.201 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.6 mt -107.56 -15.15 14.67 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 67.48 37.15 3.54 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.278 0.561 . . . . 0.0 110.896 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.78 146.54 43.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.137 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.7 139.39 54.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.141 0.496 . . . . 0.0 111.903 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -119.15 140.93 49.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 39' ' ' ARG . 9.7 mtm180 -97.79 148.84 22.97 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.729 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 59.8 mt -92.2 110.25 22.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 165.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -123.91 120.83 33.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.978 -168.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t0 61.63 28.43 17.61 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.719 0.771 . . . . 0.0 110.87 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.13 0.86 73.39 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.805 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -122.87 117.73 28.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.604 0.24 . . . . 0.0 110.784 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 16.9 Cg_exo -67.79 118.69 5.78 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.532 2.155 . . . . 0.0 111.046 173.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.37 80.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.33 0.586 . . . . 0.0 110.586 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.12 73.7 4.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.051 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 96.1 mt -121.08 127.01 51.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.732 HG23 ' HD3' ' A' ' 15' ' ' LYS . 78.5 mt -48.69 -59.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.261 -0.882 . . . . 0.0 112.932 -175.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -89.82 7.51 36.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.524 -172.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 48' ' ' LEU . 6.8 tp10 -102.24 -4.68 25.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.24 0.543 . . . . 0.0 109.702 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.28 140.59 57.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.9 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -114.82 149.03 37.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.997 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.1 128.99 37.08 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -111.04 134.03 52.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.174 -175.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 57.3 m -90.65 135.44 29.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.291 174.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -66.04 57.31 0.42 Allowed 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 123.368 2.712 . . . . 0.0 114.05 -176.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 63.28 -162.85 0.28 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.064 0.546 . . . . 0.0 110.485 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -85.61 100.99 12.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.688 0.28 . . . . 0.0 110.41 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 tp -89.64 97.03 10.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.439 -174.738 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.649 -0.13 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m 68.82 -164.46 0.19 Allowed 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.589 0.556 . . . . 0.0 111.018 176.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 3' ' ' LEU . 3.6 mm? 65.95 -173.83 0.18 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.078 0.466 . . . . 0.0 110.87 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.429 ' OD1' ' HG ' ' A' ' 7' ' ' LEU . 13.1 t70 -122.32 88.63 48.92 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.173 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.31 -21.43 60.53 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.809 2.339 . . . . 0.0 112.964 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -75.1 -24.41 58.09 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' HG ' ' OD1' ' A' ' 4' ' ' ASP . 64.1 mt -74.06 -15.66 61.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.81 0.338 . . . . 0.0 110.58 174.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt -112.77 -77.97 0.58 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.216 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 61.18 -164.45 0.24 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.985 -172.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.31 101.86 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.181 0.515 . . . . 0.0 110.564 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 20' ' ' LEU . 97.5 mt -103.52 115.69 30.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.69 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.48 156.94 47.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.137 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 49.3 t -65.07 141.26 98.28 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.663 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 25.8 Cg_exo -64.36 -21.21 66.86 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.606 2.204 . . . . 0.0 112.94 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -79.92 -71.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 112.021 -177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -98.25 -9.84 24.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 -174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 88.1 mttt 61.62 35.17 17.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.727 -176.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -80.23 141.57 23.26 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.347 173.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 31.8 Cg_exo -58.57 136.35 73.53 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.069 2.513 . . . . 0.0 112.687 -178.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 11' ' ' LEU . 94.0 mt -83.67 133.12 34.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.922 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -84.66 118.78 24.6 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -89.33 114.07 25.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.061 0.458 . . . . 0.0 111.766 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 8.7 mp -90.96 104.15 16.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.455 174.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.27 -46.38 88.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.115 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 m -56.92 -49.7 74.83 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -172.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -107.0 7.63 29.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 55.37 58.53 4.55 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.214 0.53 . . . . 0.0 110.506 -178.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 97.8 mt -121.8 141.58 51.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.543 ' HB3' HD13 ' A' ' 20' ' ' LEU . 95.9 mt -114.68 109.79 18.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.952 175.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -116.96 117.95 57.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.012 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.503 ' HB2' HD23 ' A' ' 20' ' ' LEU . 26.1 t30 -76.74 115.74 16.78 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 174.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.14 -15.63 61.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.579 . . . . 0.0 110.945 -172.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -77.02 -30.25 55.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.728 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.3 mt -114.42 -10.91 12.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.081 0.467 . . . . 0.0 110.104 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 54.37 52.47 12.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.772 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.26 150.09 40.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.884 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.6 128.8 54.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.226 0.536 . . . . 0.0 111.83 -172.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -109.68 140.35 43.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.248 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -93.19 140.13 29.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.134 -175.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -99.2 112.2 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 171.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -126.91 126.73 43.75 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 64.8 13.81 8.73 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.882 0.848 . . . . 0.0 110.75 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.68 7.52 66.56 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.792 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.1 mt -107.86 115.59 58.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HB3' HD12 ' A' ' 29' ' ' LEU . 9.6 Cg_exo -71.94 105.38 1.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.562 2.174 . . . . 0.0 110.929 174.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.52 95.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.71 35.4 1.04 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.124 -176.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 91.1 mt -84.72 120.74 26.75 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.963 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.2 -34.85 65.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.191 0.52 . . . . 0.0 110.596 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.29 -28.57 69.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.18 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 3.8 mm-40 -93.67 -10.0 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.945 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.91 128.9 37.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.238 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 m -113.0 148.22 35.54 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.78 124.32 22.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -85.64 143.15 28.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.6 0.714 . . . . 0.0 112.014 -168.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.5 t -149.18 114.12 3.6 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.417 172.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.16 177.14 3.3 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.802 2.335 . . . . 0.0 112.19 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -76.9 -10.32 59.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.796 0.808 . . . . 0.0 109.956 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -128.63 131.79 48.1 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.897 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mp -105.33 104.73 14.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.044 0.45 . . . . 0.0 111.081 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 175.5 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 ttp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.769 0.318 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -127.03 94.33 3.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.98 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 51.36 83.7 0.05 OUTLIER 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.672 0.608 . . . . 0.0 110.777 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.5 ' OD2' ' HB2' ' A' ' 6' ' ' GLN . 33.9 t70 -118.29 90.34 38.05 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.251 -172.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -67.97 3.94 1.73 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.923 2.415 . . . . 0.0 112.408 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.5 ' HB2' ' OD2' ' A' ' 4' ' ' ASP . 25.6 mm-40 -77.31 -50.97 11.68 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 175.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.28 -38.0 56.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.888 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -91.38 112.65 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.203 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -130.73 159.21 37.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.5 t -72.18 97.04 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.097 0.475 . . . . 0.0 110.472 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.578 HD13 HD11 ' A' ' 47' ' ' LEU . 63.5 mt -106.11 155.48 19.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.588 -177.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.43 173.15 11.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.758 0.313 . . . . 0.0 111.02 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 m -87.6 126.48 61.77 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.19 45.65 1.6 Allowed 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.185 2.59 . . . . 0.0 112.934 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -156.85 -73.52 0.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.569 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -91.56 -19.92 22.24 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt 59.64 48.45 9.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.082 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.16 -177.27 30.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.217 -0.902 . . . . 0.0 112.109 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.03 129.83 13.68 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.749 2.299 . . . . 0.0 113.114 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 29' ' ' LEU . 77.5 mt -88.24 128.5 35.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.897 176.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -89.76 115.99 27.53 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 33.6 t80 -94.11 132.72 38.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.468 . . . . 0.0 111.289 -173.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.54 106.5 15.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.707 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.575 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 1.6 mp0 -63.97 -27.34 69.06 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 m -68.91 -34.6 75.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.94 7.29 8.01 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.56 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 5.1 mp0 54.79 53.36 10.61 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.114 0.483 . . . . 0.0 111.276 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -118.94 139.26 51.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.214 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 20' ' ' LEU . 88.6 mt -110.41 108.43 18.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 172.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.95 125.33 69.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-O 120.985 0.421 . . . . 0.0 111.498 -172.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -95.74 114.07 25.77 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 170.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -82.54 -13.51 56.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.402 0.62 . . . . 0.0 110.434 -173.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -79.97 -36.02 36.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.371 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.9 mt -97.59 -15.78 20.33 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.058 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.71 28.97 7.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.548 0.689 . . . . 0.0 109.68 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.3 mt -118.4 140.02 50.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.621 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.98 139.84 53.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.007 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -110.7 138.92 46.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.149 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -100.6 142.75 31.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.919 0.39 . . . . 0.0 111.486 -173.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 62.3 mt -94.67 116.6 36.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 169.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -124.01 123.46 40.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.811 -173.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.4 t70 63.17 20.89 12.55 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.733 0.778 . . . . 0.0 111.348 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.66 -1.94 66.63 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.239 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.9 mt -110.92 116.71 51.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.704 0.288 . . . . 0.0 110.581 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 16.3 Cg_exo -68.63 109.93 2.2 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.53 2.153 . . . . 0.0 111.507 175.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.2 t -80.82 90.55 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.987 0.422 . . . . 0.0 109.987 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.578 HD11 HD13 ' A' ' 11' ' ' LEU . 72.2 mt -102.64 75.0 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.202 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 7.7 mp -120.25 145.85 46.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.123 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 mt -66.47 -46.26 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.837 -172.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -76.62 -32.1 57.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.276 0.56 . . . . 0.0 110.182 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 4.4 mp0 -78.77 -3.4 44.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.162 -175.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.61 127.11 29.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.075 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -104.31 146.23 29.1 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.46 138.82 36.63 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.458 ' O ' ' HD3' ' A' ' 57' ' ' PRO . 77.2 t-105 -127.53 149.24 50.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 -175.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 m -99.38 101.31 12.66 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 55' ' ' TRP . 12.5 Cg_exo -70.09 117.88 5.36 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.962 2.441 . . . . 0.0 112.49 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.66 109.67 18.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.924 177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -122.15 91.48 3.51 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 tp 66.42 112.77 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.919 0.762 . . . . 0.0 112.975 173.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.334 174.524 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -128.92 136.09 49.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.608 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.442 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 62.3 tp -94.91 109.48 21.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.429 ' OD2' ' HG ' ' A' ' 7' ' ' LEU . 17.7 t70 -115.1 88.13 17.02 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.82 -178.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 3' ' ' LEU . 16.6 Cg_exo -68.14 -4.21 12.2 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.034 2.489 . . . . 0.0 112.45 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.19 -39.31 71.88 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' HG ' ' OD2' ' A' ' 4' ' ' ASP . 95.6 mt -83.74 10.54 9.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.292 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.55 -57.2 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.502 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 64.45 -172.89 0.17 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.426 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -95.97 108.41 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -104.14 110.41 22.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.015 178.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.02 163.68 20.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.313 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.533 ' HB2' HD21 ' A' ' 20' ' ' LEU . 41.6 t -78.14 130.96 70.68 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.338 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 15.2 Cg_exo -69.84 35.72 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.735 2.957 . . . . 0.0 113.111 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 13' ' ' CYS . 41.3 mttm -120.11 -66.22 1.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.266 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -130.94 21.01 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -174.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? 66.42 19.7 10.94 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.608 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.469 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -69.04 130.08 24.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.872 177.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 28.3 Cg_exo -62.52 139.56 76.84 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.975 2.45 . . . . 0.0 112.66 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 13' ' ' CYS . 60.0 mt -99.43 152.04 20.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.033 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -85.19 119.61 25.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -86.45 109.11 18.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.359 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 28' ' ' LEU . 92.3 mt -83.71 113.71 21.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.783 175.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -22.27 31.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.277 0.56 . . . . 0.0 111.133 -176.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.91 -57.05 4.34 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.264 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -107.89 3.87 24.76 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 8.5 mp0 52.7 71.89 0.45 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.462 0.648 . . . . 0.0 112.517 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.767 ' HB2' HD12 ' A' ' 23' ' ' LEU . 95.8 mt -133.92 147.48 51.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.661 177.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' HB3' HD13 ' A' ' 20' ' ' LEU . 88.9 mt -110.68 109.23 19.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.61 125.62 72.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.851 0.357 . . . . 0.0 111.109 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -83.11 114.39 21.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 172.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -84.95 -6.16 59.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.178 0.513 . . . . 0.0 110.753 -172.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -97.31 -35.38 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.648 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.2 mt -102.1 -10.72 19.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.403 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 65.69 35.32 7.0 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.412 0.445 . . . . 0.0 111.236 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.4 mt -118.57 144.73 45.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.3 141.72 51.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.014 0.435 . . . . 0.0 111.714 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -117.43 155.01 30.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.109 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -97.69 163.15 12.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.223 0.535 . . . . 0.0 111.501 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.5 mt -121.45 133.86 66.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -121.23 99.48 6.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.631 0.253 . . . . 0.0 110.826 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.9 t70 53.34 59.11 4.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.6 173.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.37 -19.64 34.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.681 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.5 mt -107.59 115.18 59.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 117.118 0.459 . . . . 0.0 110.72 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -68.46 131.86 24.15 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.513 2.142 . . . . 0.0 111.499 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -93.01 100.55 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.121 0.486 . . . . 0.0 110.107 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -98.74 77.56 2.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.232 0.539 . . . . 0.0 110.569 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.75 124.82 49.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.332 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.89 -34.75 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.145 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -78.12 0.71 23.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.21 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -115.59 0.52 13.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.235 0.54 . . . . 0.0 110.064 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.43 109.16 6.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.855 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.5 p -102.43 149.5 24.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.142 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.32 134.79 52.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.11 0.481 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.7 t-105 -115.55 122.8 46.78 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.6 p -65.78 167.6 10.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.5 77.91 0.1 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.618 2.212 . . . . 0.0 111.907 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -91.19 79.55 5.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.089 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -161.99 178.98 8.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.077 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.7 mt -90.59 38.19 0.94 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 121.048 0.451 . . . . 0.0 110.253 172.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 p -67.52 133.76 50.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.986 0.422 . . . . 0.0 110.905 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.3 tp -103.89 135.54 45.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.421 ' OD1' ' HG ' ' A' ' 7' ' ' LEU . 11.0 t70 -125.97 88.72 53.76 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.14 -3.42 12.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.973 2.449 . . . . 0.0 112.297 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -83.75 -32.16 25.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.649 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.421 ' HG ' ' OD1' ' A' ' 4' ' ' ASP . 94.1 mt -67.8 -26.47 66.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.231 0.539 . . . . 0.0 109.911 172.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.76 -52.16 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.951 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.3 -164.82 0.24 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.673 -175.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.2 t -75.6 108.38 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.221 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt -113.92 111.68 22.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.091 0.472 . . . . 0.0 111.228 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.33 147.54 24.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.899 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.32 125.9 92.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -57.31 -38.39 94.95 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.718 2.278 . . . . 0.0 113.035 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -88.92 -54.37 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 111.204 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.537 ' HB2' HD11 ' A' ' 34' ' ' LEU . 12.2 t70 -81.06 -24.47 37.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.886 -172.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt 61.12 30.21 19.28 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 111.019 -177.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.48 -178.99 21.79 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.737 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.0 158.72 45.65 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 122.819 2.346 . . . . 0.0 112.805 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -116.56 136.39 53.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -86.94 122.46 30.82 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -90.92 116.32 28.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.434 -175.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.675 ' O ' ' HA ' ' A' ' 27' ' ' GLN . 3.7 mm? -82.97 136.78 34.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.522 172.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -95.29 -31.11 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -171.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.5 t -90.79 -47.86 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.493 0.663 . . . . 0.0 109.631 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.51 -29.58 52.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.789 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.675 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 38.5 mt-30 51.53 69.3 0.68 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.632 -176.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD22 ' HA ' ' A' ' 39' ' ' ARG . 79.6 mt -133.41 161.27 35.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.345 -1.298 . . . . 0.0 108.321 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HG ' HD11 ' A' ' 40' ' ' ILE . 98.3 mt -111.5 110.09 20.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 37' ' ' ALA . 31.9 t -116.07 129.21 72.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.625 -176.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -100.36 114.93 28.84 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -78.61 -6.84 56.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.356 -172.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.6 mtp85 -79.06 -31.19 44.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.814 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 16' ' ' ASP . 84.3 mt -104.53 -16.37 15.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.04 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 66.3 28.09 9.96 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 122.037 0.923 . . . . 0.0 109.257 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.704 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 99.0 mt -118.45 144.39 46.01 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.153 -177.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.418 ' CB ' HG22 ' A' ' 30' ' ' VAL . . . -121.76 140.63 52.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.282 -177.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -108.2 124.83 50.88 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.553 ' HA ' HD22 ' A' ' 28' ' ' LEU . 7.3 ptm180 -78.44 140.58 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.231 0.539 . . . . 0.0 111.277 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 ' HG ' ' A' ' 29' ' ' LEU . 60.6 mt -101.33 116.87 45.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.352 174.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -94.67 93.66 7.68 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.8 t70 46.48 72.81 0.21 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.803 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.32 -9.03 43.14 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.732 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.8 mt -115.93 104.28 52.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 117.383 0.591 . . . . 0.0 110.931 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 46.3 Cg_endo -69.7 123.31 10.0 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.575 2.183 . . . . 0.0 112.306 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.3 t -85.54 88.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.245 0.545 . . . . 0.0 109.825 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.78 68.74 10.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.785 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.27 121.17 38.09 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.9 mt -58.6 -40.05 77.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.434 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.01 -12.01 61.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.234 -177.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 -4.68 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.95 0.405 . . . . 0.0 110.683 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.704 ' HB1' ' HB3' ' A' ' 36' ' ' LEU . . . -69.16 110.83 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.614 -178.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -95.42 161.77 13.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.341 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.67 129.87 35.2 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.836 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 -116.56 149.54 39.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.025 0.44 . . . . 0.0 110.659 -176.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 p -77.65 149.61 78.09 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.097 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.25 176.98 3.46 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.744 2.296 . . . . 0.0 111.861 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -82.58 13.62 3.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.654 0.74 . . . . 0.0 110.122 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -131.65 124.82 30.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.316 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.75 135.43 33.75 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.776 0.322 . . . . 0.0 111.293 -174.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 C--N 1.333 -0.147 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.349 -174.361 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtm . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -101.96 139.45 37.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.321 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.5 tp 69.08 114.63 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 O-C-N 123.86 0.725 . . . . 0.0 110.019 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.416 ' OD2' ' HG ' ' A' ' 7' ' ' LEU . 34.5 t70 -108.53 89.98 6.72 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.703 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -73.33 4.76 3.62 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.34 2.026 . . . . 0.0 111.755 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -37.85 65.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.266 -178.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HG ' ' OD2' ' A' ' 4' ' ' ASP . 96.2 mt -77.81 2.3 17.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.378 178.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.4 mt -121.6 -47.4 2.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.964 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 62.54 -164.73 0.25 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.614 0.571 . . . . 0.0 111.538 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.6 t -92.16 111.24 23.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.07 0.462 . . . . 0.0 110.12 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD13 HD11 ' A' ' 29' ' ' LEU . 81.8 mt -97.77 124.83 42.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.73 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.72 169.24 10.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.77 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.8 m -88.64 142.46 30.93 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.109 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.11 -6.13 18.47 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.709 2.272 . . . . 0.0 112.732 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -92.44 -69.77 0.73 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.582 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -120.51 12.26 11.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 110.816 -175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 93.0 mttt 51.36 34.52 11.98 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.818 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.58 166.24 54.09 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.708 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -68.96 143.55 55.12 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 123.221 2.614 . . . . 0.0 112.776 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 29' ' ' LEU . 88.1 mt -115.04 130.05 56.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.075 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -93.41 133.57 36.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -92.41 122.4 34.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.133 0.492 . . . . 0.0 111.585 -174.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -105.5 130.33 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.933 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -80.24 -7.49 59.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.084 -173.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 m -51.52 -57.91 7.75 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -135.9 23.3 3.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.538 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 2.3 mp0 61.06 75.49 0.41 Allowed 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.579 0.704 . . . . 0.0 109.171 -170.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.5 mt -121.29 144.42 48.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.797 -174.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 20' ' ' LEU . 95.9 mt -110.8 121.37 45.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.724 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.1 t -109.21 120.63 60.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.171 0.51 . . . . 0.0 110.472 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -78.48 116.21 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.661 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -91.43 25.76 2.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.622 0.725 . . . . 0.0 110.753 -173.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -115.73 -59.25 2.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.148 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -100.35 -6.28 26.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.924 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.423 ' OD1' ' HA ' ' A' ' 57' ' ' PRO . 8.8 t30 64.83 67.22 0.55 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.242 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -135.26 160.97 36.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.525 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 55' ' ' TRP . . . -122.43 137.84 54.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.121 0.486 . . . . 0.0 111.702 -176.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.409 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 95.2 m-85 -115.0 145.43 42.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.121 174.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -100.78 140.71 34.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.387 -173.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 70.8 mt -106.92 121.72 60.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -92.99 94.49 8.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.657 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.8 t70 58.81 16.63 4.62 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.606 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.413 ' H ' HG22 ' A' ' 40' ' ' ILE . . . 126.98 -15.78 6.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.672 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 3.8 mp -107.01 114.84 61.06 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 44' ' ' ILE . 17.3 Cg_exo -66.45 128.51 19.38 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.017 2.478 . . . . 0.0 112.488 -177.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.45 84.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.9 mt -90.5 78.04 6.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.823 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 93.8 mt -116.74 139.51 50.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.469 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.8 mt -73.25 -32.9 39.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.031 0.443 . . . . 0.0 110.192 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.48 -26.18 60.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.992 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 7.2 mm-40 -92.78 3.95 54.71 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.262 -178.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.92 106.55 0.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 m -97.95 147.2 24.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.328 -173.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.51 124.35 29.4 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 56.8 t-105 -114.9 171.37 7.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.368 -172.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p -77.29 148.5 77.76 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 20.2 Cg_endo -60.85 132.27 41.58 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.405 2.07 . . . . 0.0 112.268 -177.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -65.08 119.51 10.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.752 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -76.75 117.53 18.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.368 0.604 . . . . 0.0 110.433 -177.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.8 mt -112.85 112.93 24.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.405 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -133.23 115.33 14.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.11 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 3' ' ' LEU . 2.1 tm? -75.97 112.69 12.66 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -114.32 90.03 19.42 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.452 -175.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.1 8.75 1.96 Allowed 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.536 2.157 . . . . 0.0 112.377 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -86.08 -51.69 6.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.262 0.553 . . . . 0.0 109.532 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.94 -26.8 63.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.469 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -84.86 -35.22 22.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.773 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.796 ' HG2' ' H ' ' A' ' 10' ' ' VAL . 21.3 tt0 62.59 -164.92 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.118 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.796 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 46.8 t -96.81 107.66 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.854 0.359 . . . . 0.0 110.655 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -101.33 114.3 28.17 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.86 150.74 39.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 15' ' ' LYS . 17.9 t -65.08 125.99 90.35 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.345 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 22.2 Cg_exo -63.67 -15.6 49.71 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.824 2.349 . . . . 0.0 112.671 -177.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.464 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 52.3 tptt -83.12 -41.23 18.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.879 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -131.11 -2.82 3.97 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.066 -0.654 . . . . 0.0 112.292 -174.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 67.05 18.36 10.52 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.005 0.431 . . . . 0.0 111.234 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.05 137.43 19.91 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.718 -0.754 . . . . 0.0 111.544 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.24 133.6 50.61 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.65 2.233 . . . . 0.0 112.337 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 87.5 mt -80.26 127.1 31.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.558 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -84.31 126.22 32.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HE1' ' HG3' ' A' ' 24' ' ' GLU . 17.0 t80 -86.28 117.64 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.646 -174.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.64 116.39 31.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.382 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' HE1' ' A' ' 22' ' ' TYR . 58.5 mp0 -72.64 -15.22 61.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.942 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 m -48.5 -55.38 11.17 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.834 0.349 . . . . 0.0 111.733 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -132.71 19.82 4.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.07 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 56.61 74.15 0.41 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.644 -175.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.0 mt -122.27 147.22 46.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.612 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 97.3 mt -111.17 109.36 19.38 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 173.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -109.75 124.08 66.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.914 0.388 . . . . 0.0 111.665 -172.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -84.37 113.88 21.48 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 171.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -84.47 -10.59 57.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.064 -170.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -73.76 -34.63 64.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -115.46 1.18 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.17 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.6 t30 58.02 44.13 19.98 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.558 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -118.0 145.55 44.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.616 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 55' ' ' TRP . . . -120.99 128.29 52.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.217 0.532 . . . . 0.0 111.124 -176.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 47' ' ' LEU . 88.1 m-85 -102.51 135.0 44.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.946 -1.024 . . . . 0.0 108.579 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -98.15 140.16 32.88 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.26 0.552 . . . . 0.0 111.874 -171.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' A' ' 45' ' ' PRO . 65.2 mt -103.45 111.86 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -96.44 99.76 11.41 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -177.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.0 t0 44.92 55.44 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.026 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.12 -14.84 61.05 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.529 -0.843 . . . . 0.0 113.617 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -107.88 107.92 60.82 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.205 0.503 . . . . 0.0 110.776 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.463 ' HB3' HG12 ' A' ' 40' ' ' ILE . 96.5 Cg_endo -83.71 120.76 2.79 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.792 2.328 . . . . 0.0 112.535 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.9 t -95.06 113.99 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 82.9 mt -111.43 31.79 5.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.313 0.578 . . . . 0.0 110.891 -174.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 91.9 mt -88.98 135.35 33.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.861 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.467 HD12 ' H ' ' A' ' 49' ' ' ILE . 3.1 mp -58.89 -46.68 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -28.26 69.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.67 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 59.2 mm-40 -95.09 3.29 54.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.378 -177.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.19 142.88 27.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.284 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -115.74 150.01 37.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -73.83 132.39 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.441 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 50.9 t-105 -100.07 144.34 29.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.32 0.581 . . . . 0.0 111.614 -170.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.452 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 3.0 p -106.67 125.41 32.83 Favored Pre-proline 0 N--CA 1.445 -0.691 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.454 175.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.804 ' HG2' HD21 ' A' ' 60' ' ' LEU . 3.9 Cg_endo -48.58 147.58 9.25 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.23 2.62 . . . . 0.0 112.422 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -59.29 123.67 17.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.888 -173.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 54.0 t30 52.42 94.52 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.422 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.804 HD21 ' HG2' ' A' ' 57' ' ' PRO . 96.0 mt -84.44 140.03 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.5 174.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.403 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -83.86 125.46 32.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.766 0.317 . . . . 0.0 111.847 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 mp 64.83 -175.08 0.17 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.827 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -124.48 89.49 52.08 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.185 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.67 2.67 1.49 Allowed 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.258 2.639 . . . . 0.0 113.577 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.87 -34.58 11.79 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.52 -24.11 58.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 0.0 110.202 173.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -95.27 -47.58 6.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 60.47 -164.87 0.22 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.301 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -99.27 107.9 21.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.913 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.9 mt -93.19 124.36 37.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.472 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.55 156.23 42.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.996 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' HD21 ' A' ' 20' ' ' LEU . 38.1 t -81.55 126.63 75.57 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.283 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.71 9.64 0.56 Allowed 'Trans proline' 0 N--CA 1.476 0.447 0 C-N-CA 122.973 2.448 . . . . 0.0 113.286 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -85.18 -42.02 15.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.861 0.362 . . . . 0.0 110.185 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -151.98 12.78 0.59 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.943 0.401 . . . . 0.0 111.389 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.7 tttt 65.48 32.81 9.22 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.8 0.809 . . . . 0.0 110.435 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.73 148.5 21.82 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.349 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.45 143.82 93.87 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.773 2.315 . . . . 0.0 113.026 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' A' ' 13' ' ' CYS . 95.5 mt -100.04 131.11 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.263 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -95.25 121.55 37.02 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -85.63 127.01 34.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.076 0.465 . . . . 0.0 110.913 -174.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -106.98 112.46 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.856 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.2 -12.66 42.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.973 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -63.17 -48.08 79.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.528 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -131.86 7.45 4.39 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -173.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 62.78 40.84 9.53 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.084 0.469 . . . . 0.0 110.826 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.11 157.97 25.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 84.4 mt -109.9 110.7 21.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.4 177.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' A' ' 37' ' ' ALA . 48.4 t -110.51 120.8 62.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.926 0.394 . . . . 0.0 110.635 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -73.19 119.52 17.55 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.23 -19.47 65.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.916 -171.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -88.64 -52.27 5.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.0 111.11 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.45 -19.87 32.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.876 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t30 66.33 38.11 4.57 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 122.092 0.949 . . . . 0.0 109.732 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -117.73 146.62 43.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.617 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -122.52 138.24 54.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.359 0.599 . . . . 0.0 111.994 -172.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -107.15 149.38 27.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.62 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 39' ' ' ARG . 40.0 mtt180 -101.0 141.83 33.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.518 -173.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -110.39 134.61 52.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -127.08 95.32 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.869 0.366 . . . . 0.0 110.425 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 51.73 72.53 0.37 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.942 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.72 -14.98 8.47 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.555 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.459 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 65.2 mt -108.36 112.48 61.03 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.958 0.379 . . . . 0.0 110.593 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 44' ' ' ILE . 6.1 Cg_exo -79.23 119.6 4.27 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.983 2.455 . . . . 0.0 111.856 178.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.542 HG13 HD23 ' A' ' 48' ' ' LEU . 65.5 t -77.84 96.88 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.46 38.23 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.268 -173.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.542 HD23 HG13 ' A' ' 46' ' ' VAL . 3.6 mm? -81.35 123.65 28.72 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.011 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.8 mt -58.87 -37.65 68.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.86 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.15 -8.04 57.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.167 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 22.5 mm-40 -107.09 4.88 27.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.46 126.69 30.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 m -111.38 148.63 32.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.101 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.84 128.93 34.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -104.86 154.43 20.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.205 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.6 m -61.73 128.76 90.8 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -41.32 125.29 2.53 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.174 2.582 . . . . 0.0 112.869 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -52.87 140.78 23.43 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.451 -177.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -74.22 83.84 1.87 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.859 0.838 . . . . 0.0 111.652 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.1 mt -86.6 107.78 18.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.102 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.481 -176.254 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.78 0.324 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 m 58.29 -176.32 0.08 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.845 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.0 mp 59.07 -169.18 0.14 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.444 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.05 87.86 53.0 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.695 174.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.21 -4.31 11.45 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.125 2.55 . . . . 0.0 112.828 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -86.29 -44.39 12.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.985 0.421 . . . . 0.0 110.222 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.1 mt -76.45 -17.73 59.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.646 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.2 mt -94.61 -27.89 15.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.905 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 61.8 -175.6 0.13 Allowed 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.618 0.574 . . . . 0.0 111.41 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.2 t -108.33 93.85 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.614 HD13 HD11 ' A' ' 29' ' ' LEU . 87.6 mt -85.49 109.7 18.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 -174.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.04 149.09 44.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.671 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 2.9 p -67.1 135.32 93.82 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.825 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 47' ' ' LEU . 36.1 Cg_endo -65.36 -25.96 56.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.899 2.4 . . . . 0.0 113.224 -175.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -90.99 -57.0 2.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.781 0.324 . . . . 0.0 111.616 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.633 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 16.5 t70 -84.86 -27.17 26.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.638 -172.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 tptt 65.04 17.96 11.29 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.216 0.607 . . . . 0.0 110.588 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.64 176.54 36.67 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.145 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.49 140.59 57.98 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.966 2.444 . . . . 0.0 112.639 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 13' ' ' CYS . 88.8 mt -110.35 138.93 46.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.428 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -89.97 124.4 34.71 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.487 ' HD1' ' HG3' ' A' ' 24' ' ' GLU . 31.9 t80 -86.2 109.55 18.98 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -85.57 95.13 9.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 176.564 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' HG3' ' HD1' ' A' ' 22' ' ' TYR . 1.9 mp0 -65.28 -24.53 67.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.432 -171.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -72.03 -30.71 65.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.283 -174.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -132.13 9.11 4.43 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.964 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 13.0 mp0 56.23 62.22 2.43 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.19 0.519 . . . . 0.0 110.902 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.5 mt -124.99 148.13 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.292 -178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 11' ' ' LEU . 95.8 mt -113.98 110.6 20.31 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.0 t -109.52 132.56 57.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.564 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.479 ' HB2' HD23 ' A' ' 20' ' ' LEU . 46.3 t30 -116.76 115.65 25.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.039 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.94 -23.79 67.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.817 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 33' ' ' ARG . 15.1 mtp180 -76.25 -13.69 60.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.017 -178.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.0 mt -121.5 -17.72 7.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.593 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.61 18.3 11.18 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.672 0.749 . . . . 0.0 109.254 -175.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 54' ' ' GLU . 88.0 mt -118.91 153.79 34.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.416 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.52 141.33 51.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.121 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -104.57 141.54 36.22 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 175.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 39' ' ' ARG . 30.0 mtm180 -93.55 139.46 30.73 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.964 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.461 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 66.3 mt -104.3 112.59 38.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 170.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -104.67 96.02 6.29 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.402 -174.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 47.89 71.61 0.33 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.952 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.45 -20.46 30.59 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.706 -0.679 . . . . 0.0 113.297 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.9 mt -110.1 107.65 58.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 117.209 0.504 . . . . 0.0 111.211 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 2.7 Cg_exo -75.36 109.94 3.01 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.862 2.375 . . . . 0.0 111.101 175.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.44 HG11 ' HG2' ' A' ' 51' ' ' GLU . 34.2 t -79.49 82.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.456 0.646 . . . . 0.0 110.141 -178.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.485 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 94.0 mt -87.36 79.27 8.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.316 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -129.36 141.17 51.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.873 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.9 -39.58 67.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.273 0.558 . . . . 0.0 110.089 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.36 -27.51 67.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.053 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HG2' HG11 ' A' ' 46' ' ' VAL . 11.8 tp10 -92.77 -9.24 41.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.727 -175.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.47 123.79 22.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 m -105.03 152.65 22.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.203 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' HA ' HD23 ' A' ' 36' ' ' LEU . 37.4 tt0 -76.29 124.48 27.57 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -141.87 149.48 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.347 -172.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.4 m 61.2 85.47 0.18 Allowed Pre-proline 0 CA--C 1.533 0.294 0 O-C-N 123.837 0.71 . . . . 0.0 111.528 -177.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.27 112.51 3.56 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.77 2.313 . . . . 0.0 111.406 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -80.31 161.28 25.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.193 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.51 157.65 19.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.902 0.382 . . . . 0.0 111.215 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.2 mt -75.47 93.79 3.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.341 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.762 177.915 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.7 ttm . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.526 0.203 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t 60.36 -170.48 0.14 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.153 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 45.0 tp -129.51 153.08 48.35 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -113.14 88.11 11.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 120.894 0.378 . . . . 0.0 110.016 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.04 -16.75 34.4 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 123.202 2.602 . . . . 0.0 113.618 -174.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -69.64 -28.82 66.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.115 0.483 . . . . 0.0 110.82 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mp -93.29 15.57 15.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.2 mt -138.68 -54.71 0.61 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.553 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 66.08 177.45 0.22 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.572 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.91 98.0 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.168 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.59 104.73 10.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.784 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.93 155.16 28.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.093 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 27.9 m -63.84 149.51 92.98 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.698 179.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.75 -27.05 26.98 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.248 1.965 . . . . 0.0 113.376 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -103.64 -70.84 0.75 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.657 -176.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.1 -25.43 59.79 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.769 0.319 . . . . 0.0 110.855 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 29.5 mtpt 66.31 27.8 10.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.813 176.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' HA3' ' NH1' ' A' ' 33' ' ' ARG . . . -77.72 162.56 50.61 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.12 171.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.55 118.93 5.84 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.653 2.235 . . . . 0.0 112.222 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.31 142.1 54.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.947 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -85.13 127.42 34.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -91.74 124.41 35.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.213 -175.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mp -107.87 113.84 27.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.295 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -62.24 -30.66 71.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.202 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -49.44 -70.15 0.1 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.248 -172.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -114.93 19.33 15.91 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.423 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 57.78 65.25 1.36 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.998 0.428 . . . . 0.0 110.252 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -128.31 146.8 50.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.205 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.4 mt -112.32 117.12 31.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.272 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -109.63 132.55 57.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -173.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -107.31 122.22 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -62.4 -41.36 98.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.361 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 3.0 mpt_? -72.48 -18.14 61.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -168.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 83.8 mt -121.37 -5.3 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.949 -177.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 59.84 27.53 16.87 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.677 0.751 . . . . 0.0 110.263 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 34' ' ' LEU . 99.6 mt -119.06 157.26 28.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.712 -176.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.32 131.66 54.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.178 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -96.34 136.24 37.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.458 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' HD3' ' HG3' ' A' ' 51' ' ' GLU . 63.5 mtp180 -90.84 140.1 30.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.08 -168.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.46 111.48 36.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -106.31 96.16 6.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.967 0.413 . . . . 0.0 110.345 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 52.57 67.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.962 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.99 -13.15 39.34 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.645 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.07 107.75 60.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.945 0.373 . . . . 0.0 110.555 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.16 111.24 3.23 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.149 2.566 . . . . 0.0 111.575 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.6 t -86.02 97.99 6.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.88 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -91.01 43.24 1.14 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.195 0.521 . . . . 0.0 110.786 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -97.88 124.24 42.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.053 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.5 -31.63 53.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.997 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.11 -26.64 61.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' HG3' ' HD3' ' A' ' 39' ' ' ARG . 8.2 tp10 -91.31 -11.38 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.361 0.6 . . . . 0.0 110.174 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.87 138.57 41.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.381 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.2 t -109.81 161.25 15.63 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.117 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -70.8 124.84 25.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.781 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -140.78 150.67 43.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.834 -176.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.7 m 72.56 88.19 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 123.874 0.734 . . . . 0.0 110.775 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -79.52 152.26 23.0 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.044 2.496 . . . . 0.0 111.488 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -93.54 123.95 37.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.331 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.4 90.32 0.96 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 173.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 60' ' ' LEU . 1.7 pp -72.79 156.33 39.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.532 -175.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.31 -177.531 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.429 HD13 HD11 ' A' ' 29' ' ' LEU . 86.7 mt . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.792 0.33 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.91 154.45 28.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.494 -177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.563 ' HB2' HD21 ' A' ' 20' ' ' LEU . 36.8 t -67.45 136.75 93.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.792 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 37.4 Cg_exo -61.8 -26.63 79.7 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.878 2.386 . . . . 0.0 113.142 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.913 ' HD3' HG23 ' A' ' 49' ' ' ILE . 54.2 mtmt -100.0 -55.83 2.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.697 0.284 . . . . 0.0 111.539 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.89 -27.29 60.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.998 0.428 . . . . 0.0 110.877 -176.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 41.1 tptt 65.93 10.32 6.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.156 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.96 151.72 20.95 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.567 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.38 129.48 25.48 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.687 2.258 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 13' ' ' CYS . 75.6 mt -81.98 146.57 29.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.9 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -83.85 120.27 25.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -88.63 116.0 26.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.191 -172.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.6 mm? -94.0 112.51 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.14 -28.64 64.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.726 -173.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 m -65.83 -38.81 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -172.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.5 13.58 4.99 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.748 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.567 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 10.9 mp0 52.49 65.16 1.59 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.212 0.529 . . . . 0.0 111.541 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.2 mt -118.61 138.2 52.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.372 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 11' ' ' LEU . 88.8 mt -112.64 108.82 18.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.05 129.93 69.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.19 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -87.64 115.3 24.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 171.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -80.04 -7.08 58.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.35 0.595 . . . . 0.0 111.509 -169.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 33' ' ' ARG . 44.5 mtp180 -99.22 -36.7 9.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.69 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -93.06 -18.24 22.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.9 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.0 m120 67.2 35.84 4.31 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.603 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.2 mt -118.27 147.25 43.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.826 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.7 141.66 51.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.156 0.503 . . . . 0.0 111.714 -174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -111.99 138.25 48.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.892 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -98.06 139.99 33.06 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.18 0.515 . . . . 0.0 111.465 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.567 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 54.6 mt -95.15 111.72 26.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 169.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -108.92 101.73 10.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 -170.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 60.65 45.02 10.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.884 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.38 -16.25 60.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.783 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 mm -108.31 108.42 61.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.745 0.273 . . . . 0.0 110.63 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 5.1 Cg_exo -77.28 117.53 4.4 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.229 2.619 . . . . 0.0 111.101 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 51' ' ' GLU . 10.8 t -84.83 87.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.266 0.555 . . . . 0.0 110.437 -177.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -95.14 96.62 9.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.451 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' HB2' ' CB ' ' A' ' 51' ' ' GLU . 95.2 mt -131.97 170.64 14.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.159 178.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.913 HG23 ' HD3' ' A' ' 15' ' ' LYS . 46.8 mt -70.27 -41.61 78.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.462 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -114.67 5.72 15.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.155 0.502 . . . . 0.0 111.392 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG2' ' CG1' ' A' ' 46' ' ' VAL . 9.8 tp10 -90.73 8.17 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.563 0.697 . . . . 0.0 110.024 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.02 128.69 34.35 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.859 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 t -100.67 155.99 17.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.015 0.436 . . . . 0.0 110.553 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.23 133.34 46.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.309 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 . . . . . 0 C--N 1.319 -0.751 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.71 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.26 147.19 38.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.583 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.627 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 12.2 m -71.38 152.84 94.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.803 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.666 ' HG3' ' HB3' ' A' ' 47' ' ' LEU . 3.0 Cg_exo -76.4 -3.79 14.24 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.726 2.284 . . . . 0.0 112.027 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -86.18 -75.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.287 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -106.54 0.3 24.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.276 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 43.5 tttp 59.0 33.21 22.9 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.266 -175.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.73 155.28 29.02 Favored Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.679 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.42 130.56 34.3 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.071 2.514 . . . . 0.0 112.824 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 29' ' ' LEU . 32.4 mt -79.3 134.52 36.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.974 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -84.69 110.34 18.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -87.2 119.04 27.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.576 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.6 mm? -89.29 121.35 31.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 172.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.34 -19.63 56.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 m -58.31 -63.88 1.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.089 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -126.29 24.71 6.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.173 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 54.49 72.79 0.44 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.4 mt -118.71 138.75 52.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.112 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 20' ' ' LEU . 96.5 mt -114.25 110.41 19.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.92 129.82 70.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.916 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -81.28 116.4 21.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 174.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.97 1.24 24.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.899 0.38 . . . . 0.0 111.473 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -102.83 -47.21 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.86 0.362 . . . . 0.0 111.268 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -101.06 -7.36 23.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.55 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 65.35 47.08 2.42 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.617 0.722 . . . . 0.0 110.119 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.9 mt -117.7 149.84 40.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.9 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.89 140.5 52.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.083 0.468 . . . . 0.0 111.336 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -119.34 146.33 45.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.457 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 39' ' ' ARG . 47.9 mtt180 -96.41 142.3 28.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.005 0.431 . . . . 0.0 110.882 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.462 HD11 ' HG ' ' A' ' 29' ' ' LEU . 67.0 mt -105.18 112.67 39.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.489 174.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -91.5 93.93 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.064 0.459 . . . . 0.0 110.76 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 59.77 16.23 5.42 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.204 174.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.13 -6.82 7.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.673 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -107.95 112.25 61.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.693 0.283 . . . . 0.0 110.573 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.54 118.14 5.5 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.586 2.191 . . . . 0.0 111.601 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.6 t -77.63 91.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.043 0.449 . . . . 0.0 110.269 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.666 ' HB3' ' HG3' ' A' ' 14' ' ' PRO . 94.4 mt -95.33 81.45 3.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.495 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 96.0 mt -128.87 149.91 50.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.617 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.8 mt -73.88 -40.84 53.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.823 0.344 . . . . 0.0 111.71 -174.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -82.49 -25.83 33.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.871 0.367 . . . . 0.0 111.132 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 4.3 mp0 -78.58 -15.21 58.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.792 0.329 . . . . 0.0 111.073 177.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.87 113.72 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.101 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.6 m -105.19 152.03 23.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.465 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.86 125.12 28.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.836 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.47 ' HA ' ' CE3' ' A' ' 55' ' ' TRP . 3.4 t-105 . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.7 mt . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.046 0.45 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.76 144.41 50.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.604 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 43.3 t -72.08 123.07 88.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.042 175.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD2' ' OH ' ' A' ' 38' ' ' TYR . 52.3 Cg_exo -57.1 -10.65 6.29 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 123.385 2.723 . . . . 0.0 113.856 -177.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -79.64 -67.41 0.76 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.727 0.299 . . . . 0.0 111.234 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.66 4.28 14.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 111.707 -171.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 69.38 15.53 8.4 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.865 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.415 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -71.03 142.49 34.61 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.179 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 39.0 Cg_exo -61.15 141.28 93.12 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.137 2.558 . . . . 0.0 112.602 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 31' ' ' ASN . 91.4 mt -94.68 144.63 25.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.28 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -86.85 126.53 34.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -89.16 101.76 14.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.858 0.361 . . . . 0.0 110.768 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 9.3 mp -91.05 107.02 18.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.319 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.47 -9.22 58.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.51 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p -76.13 -62.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.472 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.94 13.48 30.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.291 -175.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 55.66 55.03 7.58 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.554 0.534 . . . . 0.0 110.218 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.6 mt -118.24 140.59 49.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.169 -175.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.96 108.33 18.05 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 169.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -114.81 124.92 71.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.068 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.503 ' HB2' HD23 ' A' ' 20' ' ' LEU . 34.3 t30 -93.16 114.72 27.3 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.22 -13.44 60.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.131 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -78.05 -29.22 49.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.2 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.29 -1.98 8.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 60.66 38.36 18.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.751 0.31 . . . . 0.0 110.74 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.496 HD13 ' HB1' ' A' ' 52' ' ' ALA . 99.0 mt -117.75 133.61 55.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.394 -177.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.12 139.24 53.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.641 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.449 ' OH ' ' HD2' ' A' ' 14' ' ' PRO . 56.2 m-85 -120.19 152.12 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.322 -0.854 . . . . 0.0 108.96 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -101.54 145.31 29.19 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.459 0.647 . . . . 0.0 111.907 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 60.9 mt -95.84 112.55 28.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.57 171.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -109.76 114.86 28.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.723 0.297 . . . . 0.0 110.836 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.3 t70 59.31 36.46 23.54 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.913 0.863 . . . . 0.0 110.537 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.63 -0.46 89.21 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.555 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.5 mt -107.63 110.85 62.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 40.3 Cg_endo -68.79 111.43 2.61 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.171 1.914 . . . . 0.0 111.321 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.545 HG12 ' HG3' ' A' ' 51' ' ' GLU . 42.0 t -78.75 89.36 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.262 0.553 . . . . 0.0 110.446 -177.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.9 mt -100.08 81.32 2.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.444 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.523 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 89.1 mt -118.1 152.9 34.69 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 mt -56.63 -49.01 79.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.869 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.28 13.22 12.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.934 0.397 . . . . 0.0 111.685 -175.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.545 ' HG3' HG12 ' A' ' 46' ' ' VAL . 66.3 mm-40 -93.95 -8.87 38.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 173.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HB1' HD13 ' A' ' 36' ' ' LEU . . . -70.17 98.37 1.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.893 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 p -94.32 143.37 26.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.005 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.15 123.96 26.19 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -172.151 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.236 0.386 0 CA-C-O 121.258 0.552 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.41 145.87 39.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.345 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 6.5 p -76.08 129.95 79.32 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 40.3 Cg_exo -57.14 -32.0 92.09 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.041 2.494 . . . . 0.0 112.781 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HD2' HG23 ' A' ' 49' ' ' ILE . 52.5 mtpt -77.06 -62.21 1.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.0 0.429 . . . . 0.0 111.713 -176.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.578 ' HB2' HD21 ' A' ' 34' ' ' LEU . 29.8 t70 -88.57 -21.95 23.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.694 -170.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? 67.74 20.16 9.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.14 0.495 . . . . 0.0 110.926 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.48 162.91 24.77 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.737 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.03 137.35 52.19 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.03 2.487 . . . . 0.0 112.465 -177.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' A' ' 13' ' ' CYS . 85.7 mt -89.75 134.8 33.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.797 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -84.8 129.0 34.88 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.507 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 36.7 t80 -95.02 117.89 30.91 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.352 -173.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -105.53 98.86 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.012 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 4.6 mp0 -62.76 -38.53 90.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 m -51.77 -38.58 56.07 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -173.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -132.71 11.5 4.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.276 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.549 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 32.2 mm-40 56.94 62.46 2.24 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.256 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.25 147.79 52.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.021 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -118.42 110.51 17.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.849 174.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.7 t -118.72 134.09 63.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.909 -174.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -104.81 124.99 50.4 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.18 -43.23 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.306 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -87.73 15.11 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.991 -174.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 16' ' ' ASP . 36.2 mt -124.06 -30.66 3.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.263 172.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 m120 65.02 26.78 12.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.449 0.642 . . . . 0.0 109.797 -173.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.44 HD13 ' HB1' ' A' ' 52' ' ' ALA . 88.5 mt -118.31 147.01 43.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.251 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.25 138.05 54.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.829 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -109.54 141.47 41.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -90.67 144.2 25.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.251 0.548 . . . . 0.0 111.563 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.549 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 69.1 mt -107.69 112.37 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.037 175.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -94.91 107.07 19.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.744 0.307 . . . . 0.0 110.88 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.5 t70 62.21 19.61 11.09 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.808 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.69 -2.34 34.14 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.249 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.22 107.69 60.8 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.63 112.49 3.57 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.088 2.525 . . . . 0.0 111.829 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.19 97.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.098 0.475 . . . . 0.0 109.892 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.7 mt -93.51 89.35 6.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.71 154.36 50.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.91 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.442 HG23 ' HD2' ' A' ' 15' ' ' LYS . 42.3 mt -76.49 -18.81 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.986 0.898 . . . . 0.0 108.948 177.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.14 -18.98 61.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.376 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -104.24 13.22 32.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.639 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.44 ' HB1' HD13 ' A' ' 36' ' ' LEU . . . -79.14 110.35 14.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.985 0.422 . . . . 0.0 111.526 -175.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.3 p -112.95 141.58 46.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.432 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HA ' HD23 ' A' ' 36' ' ' LEU . 33.4 tt0 -76.7 131.35 38.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -169.39 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.588 ' HB1' ' HA ' ' A' ' 17' ' ' LYS . . . -133.37 155.3 49.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.066 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.55 ' SG ' HD21 ' A' ' 20' ' ' LEU . 33.5 m -72.5 145.53 87.73 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.58 16.86 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 123.045 2.497 . . . . 0.0 113.079 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -135.99 -64.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.262 0.553 . . . . 0.0 109.586 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.81 -38.07 73.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.342 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.588 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.2 mtpp 62.26 21.24 12.35 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.865 0.364 . . . . 0.0 111.429 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.69 -169.26 35.45 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.382 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -75.62 134.68 17.09 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.854 2.369 . . . . 0.0 113.42 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.55 HD21 ' SG ' ' A' ' 13' ' ' CYS . 74.8 mt -102.69 138.04 40.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.356 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.9 mtm105 -84.99 125.25 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -90.86 105.63 17.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.594 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.69 109.36 16.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -74.76 -37.77 62.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.462 0.649 . . . . 0.0 110.78 -175.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -71.42 -32.91 68.92 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.906 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -105.73 -16.0 14.8 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 59.61 49.71 8.09 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.27 0.557 . . . . 0.0 112.009 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.4 mt -136.3 156.76 48.19 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.856 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 59.3 mt -110.37 110.2 20.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.829 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.586 HG22 ' HB2' ' A' ' 37' ' ' ALA . 44.3 t -113.36 127.27 70.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.807 0.336 . . . . 0.0 111.427 -173.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -92.96 117.53 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -62.08 -26.72 68.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.37 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -89.85 -9.22 49.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.537 -175.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.6 mt -117.44 -20.46 9.07 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.7 m120 63.64 24.53 13.97 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.313 0.578 . . . . 0.0 110.799 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.96 147.93 43.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.464 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -122.25 136.37 54.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.602 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -99.61 149.58 23.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.169 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 39' ' ' ARG . 51.0 mtt180 -82.32 140.05 33.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.822 -173.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.9 mt -103.71 111.17 32.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 168.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -103.35 98.65 8.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -171.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 55.46 31.89 17.85 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.28 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.03 -11.85 40.86 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.941 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.9 mt -108.42 116.34 56.57 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 122.466 -0.432 . . . . 0.0 110.52 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.48 120.25 6.81 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.606 2.204 . . . . 0.0 112.401 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.3 t -93.41 99.19 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.063 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.3 mt -94.13 77.35 4.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.2 mt -134.24 144.15 48.23 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.17 -41.83 84.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.812 0.339 . . . . 0.0 111.757 -173.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.93 -17.07 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.697 0.284 . . . . 0.0 110.978 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -90.76 -7.0 53.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.04 165.79 22.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.347 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -128.77 153.23 47.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.451 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -80.62 128.14 33.27 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.705 0.288 . . . . 0.0 110.496 -175.03 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.235 0.306 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.28 167.78 21.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.71 0.29 . . . . 0.0 111.444 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.619 ' SG ' HD21 ' A' ' 20' ' ' LEU . 75.9 m -86.47 157.73 55.39 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.995 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.11 14.89 2.23 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.637 2.225 . . . . 0.0 113.24 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -120.71 -69.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.665 0.269 . . . . 0.0 111.057 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -89.27 -23.31 22.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.195 0.521 . . . . 0.0 109.88 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 68.4 tttt 61.8 35.5 16.64 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.683 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.465 ' HA3' ' NH1' ' A' ' 33' ' ' ARG . . . -89.51 164.02 31.53 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.26 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.32 120.14 7.38 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.112 2.541 . . . . 0.0 112.584 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.619 HD21 ' SG ' ' A' ' 13' ' ' CYS . 51.7 mt -75.34 143.36 42.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.261 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -84.63 124.32 31.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -91.96 122.07 34.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.05 0.453 . . . . 0.0 111.04 -171.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.7 mm? -96.03 109.42 21.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.669 173.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.56 -30.56 71.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.796 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 p -51.58 -63.55 1.1 Allowed 'General case' 0 C--O 1.237 0.414 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -124.28 21.58 8.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -176.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 53.57 72.61 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.473 0.654 . . . . 0.0 110.631 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 92.6 mt -120.23 148.99 42.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.717 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' A' ' 20' ' ' LEU . 95.6 mt -122.33 109.81 14.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.286 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -111.18 128.59 67.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.84 0.352 . . . . 0.0 110.578 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -92.41 116.72 29.23 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -81.57 1.66 32.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.082 0.467 . . . . 0.0 111.003 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' NH1' ' HA3' ' A' ' 18' ' ' GLY . 91.7 mtt180 -89.92 -63.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.177 0.513 . . . . 0.0 110.106 172.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.91 -8.86 58.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.153 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.47 30.52 15.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.449 0.643 . . . . 0.0 109.961 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD13 ' HB1' ' A' ' 52' ' ' ALA . 98.3 mt -118.05 150.04 39.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.317 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.85 141.23 52.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.444 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -116.69 147.21 42.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.157 174.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -101.42 140.93 35.04 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.735 0.303 . . . . 0.0 111.221 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 67.4 mt -94.6 113.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -99.62 100.15 11.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.6 t70 47.01 64.9 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.56 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.63 -17.99 41.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.667 176.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.4 mt -109.75 109.86 59.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 117.273 0.536 . . . . 0.0 111.345 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.51 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 45.2 Cg_endo -70.52 109.64 2.51 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.414 2.076 . . . . 0.0 111.48 175.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.8 t -78.06 99.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.658 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.0 mt -101.13 75.66 1.67 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.208 0.528 . . . . 0.0 110.765 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.4 mt -123.14 138.28 54.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.971 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.98 -34.71 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 110.554 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -69.56 -27.39 65.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.906 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -84.74 -17.54 38.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.757 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB1' HD13 ' A' ' 36' ' ' LEU . . . -63.67 109.48 1.7 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.677 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -117.19 151.44 36.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.307 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -73.63 134.02 43.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.561 -175.569 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.639 HD13 HD11 ' A' ' 29' ' ' LEU . 78.3 mt . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 121.009 0.433 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.97 155.25 49.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.877 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.26 132.83 92.72 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.646 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.96 -31.3 91.3 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 122.727 2.285 . . . . 0.0 112.869 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -91.7 -53.23 4.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.758 0.313 . . . . 0.0 111.09 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -84.95 -24.07 28.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.165 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 66.0 13.82 9.27 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.788 0.435 . . . . 0.0 111.382 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -82.15 147.92 26.43 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.958 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 29.3 Cg_exo -61.69 126.0 18.01 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.912 2.408 . . . . 0.0 112.036 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 82.4 mt -84.35 140.21 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.254 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -84.95 124.26 31.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -86.25 111.14 20.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.696 -173.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.6 100.37 13.19 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -65.92 -42.09 90.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.953 -172.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -60.77 -32.88 72.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.311 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -114.61 -1.43 13.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -173.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 60.82 40.87 15.4 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.395 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -118.01 144.25 45.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.004 0.43 . . . . 0.0 111.539 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 11' ' ' LEU . 95.4 mt -110.91 110.95 21.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.408 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -110.18 125.84 67.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.916 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.499 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . 38.0 t30 -97.66 115.75 28.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.98 -15.24 62.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.334 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.15 -28.08 57.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.321 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -120.49 -7.06 9.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 60.92 33.1 19.97 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.449 0.642 . . . . 0.0 110.134 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.5 mt -117.98 147.37 43.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.384 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.83 135.89 54.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.288 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -109.35 140.57 42.88 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -97.42 143.37 28.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.1 mt -108.85 127.83 65.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.081 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -119.88 93.07 3.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 44.75 73.83 0.14 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.233 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.57 -12.49 58.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.268 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.2 mt -107.76 104.55 53.51 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.907 0.384 . . . . 0.0 110.589 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.59 113.2 2.54 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.017 2.478 . . . . 0.0 111.046 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.678 HG13 HD23 ' A' ' 48' ' ' LEU . 58.5 t -75.7 87.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.124 0.488 . . . . 0.0 110.142 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.0 mt -95.73 40.54 1.11 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.486 0.66 . . . . 0.0 110.185 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.678 HD23 HG13 ' A' ' 46' ' ' VAL . 4.0 mm? -84.86 130.16 34.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.59 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.3 mt -78.06 -34.55 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 0.0 111.019 -173.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.33 -27.7 38.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -86.78 -18.74 30.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.69 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.19 145.28 47.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 0.0 111.074 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -122.94 143.53 49.84 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.955 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.6 124.29 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.065 0.46 . . . . 0.0 110.217 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.311 -175.571 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 29' ' ' LEU . 37.6 mt . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.975 0.416 . . . . 0.0 111.647 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.96 150.41 43.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.246 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 58.7 m -69.15 144.03 94.74 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.876 0.369 . . . . 0.0 111.264 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.2 -1.74 11.81 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.594 2.196 . . . . 0.0 113.427 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.7 ' HD3' HG23 ' A' ' 49' ' ' ILE . 41.8 mtmt -104.53 -72.62 0.7 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.88 0.371 . . . . 0.0 111.41 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -90.59 -8.25 50.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.721 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 39.5 tptt 68.55 19.89 8.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.42 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.65 143.45 36.88 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.468 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.0 134.7 44.18 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.276 2.651 . . . . 0.0 112.555 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 31' ' ' ASN . 72.0 mt -92.49 135.94 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.744 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.3 ttm-85 -84.21 130.67 34.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -86.81 112.72 21.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.305 -176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.3 mm? -99.64 109.16 21.66 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.09 -14.28 61.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.944 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -50.32 -56.39 11.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.812 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -136.7 24.81 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.735 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 59.32 72.72 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 123.881 0.738 . . . . 0.0 110.258 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -129.67 148.79 51.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.421 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 11' ' ' LEU . 91.6 mt -115.97 109.88 18.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.472 HG22 ' HB2' ' A' ' 37' ' ' ALA . 44.0 t -112.88 121.84 65.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.265 -175.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.528 ' HB2' HD23 ' A' ' 20' ' ' LEU . 35.6 t30 -94.51 115.31 27.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -77.06 -17.71 58.57 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.889 -170.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -73.71 -26.18 60.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.53 -16.84 14.12 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.176 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 67.08 26.88 8.81 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.764 0.792 . . . . 0.0 110.203 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.8 mt -118.56 149.53 41.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.573 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.472 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -122.9 141.26 52.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 0.0 111.352 -177.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -104.98 154.98 19.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.545 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -100.21 140.14 34.88 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.938 0.399 . . . . 0.0 111.84 -170.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.417 HD11 ' HG ' ' A' ' 29' ' ' LEU . 66.3 mt -117.99 112.66 39.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -110.41 95.65 5.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 50.28 73.93 0.24 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.856 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.431 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 76.46 -6.55 37.22 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.44 177.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.0 mt -108.8 101.75 45.23 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.18 0.49 . . . . 0.0 110.851 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 6.0 Cg_exo -78.77 108.03 2.36 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.991 2.461 . . . . 0.0 111.332 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 t -85.14 91.52 3.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -97.07 78.31 2.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.302 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.91 142.66 49.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.828 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.7 HG23 ' HD3' ' A' ' 15' ' ' LYS . 71.9 mt -59.34 -50.52 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 123.427 0.454 . . . . 0.0 111.374 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.41 -33.74 75.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.992 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.59 0.62 25.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -170.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.24 118.97 12.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.463 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 t -102.17 161.74 13.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -87.88 123.2 32.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.591 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.036 -177.023 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.991 0.424 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.34 150.08 52.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.638 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 42.1 t -66.64 135.13 94.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.309 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 22.9 Cg_exo -66.57 11.15 0.18 Allowed 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.516 2.811 . . . . 0.0 113.711 -178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -94.94 -79.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.24 55.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 111.133 -176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 66.43 25.24 10.28 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 167.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -70.04 119.18 8.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.461 176.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 31.8 Cg_exo -59.01 124.97 16.85 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.903 2.402 . . . . 0.0 112.963 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.43 137.91 31.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.049 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -106.74 128.22 54.04 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 24' ' ' GLU . 49.0 t80 -86.3 120.02 27.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.771 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mp -91.55 114.03 26.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.777 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 31.0 mt-10 -68.67 -10.83 58.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.367 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 p -74.36 -56.94 4.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.091 -177.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -112.13 7.31 19.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.456 -174.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.5 45.45 19.55 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.602 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.9 mt -118.45 155.95 29.89 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.3 mt -110.35 110.06 20.72 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.74 125.62 68.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.018 0.437 . . . . 0.0 110.729 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -76.7 115.79 16.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -79.43 -0.43 32.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.247 0.546 . . . . 0.0 111.27 -172.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -102.98 -58.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.22 -7.29 59.63 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.513 -173.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.68 44.26 14.52 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.643 0.735 . . . . 0.0 110.997 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.5 mt -118.4 146.48 44.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.567 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.0 128.85 53.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.11 0.481 . . . . 0.0 111.392 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -104.45 151.52 23.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.251 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -100.03 164.85 11.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.735 0.302 . . . . 0.0 111.057 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.58 125.98 74.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.21 103.68 12.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.669 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.9 t70 51.41 58.57 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.465 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.14 -10.98 51.52 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.593 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -109.93 115.33 55.3 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.106 0.453 . . . . 0.0 110.439 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.04 128.24 22.4 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.498 2.132 . . . . 0.0 111.985 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.588 HG13 HD23 ' A' ' 48' ' ' LEU . 56.5 t -90.52 99.26 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.894 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.62 39.26 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.245 0.545 . . . . 0.0 110.529 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.588 HD23 HG13 ' A' ' 46' ' ' VAL . 4.6 mm? -83.51 123.34 29.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.702 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.7 mt -55.02 -45.35 76.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.521 -174.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -77.47 -24.67 50.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.634 0.254 . . . . 0.0 111.67 -173.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -72.16 -22.2 61.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.881 0.372 . . . . 0.0 111.021 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.37 132.46 47.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.117 0.485 . . . . 0.0 110.748 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -118.48 153.88 33.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.034 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -65.9 133.76 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 . . . . . 0 C--N 1.322 -0.595 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.302 -173.84 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.74 152.53 51.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.3 p -74.35 141.84 77.54 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.11 -7.96 21.97 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.869 2.379 . . . . 0.0 113.398 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.502 ' HB2' HD11 ' A' ' 34' ' ' LEU . 29.5 mmtp -83.97 -83.58 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.912 0.387 . . . . 0.0 111.327 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.44 -5.76 51.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 3.8 tppp? 60.54 73.33 0.49 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.041 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.12 158.42 22.68 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.29 127.38 21.84 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' A' ' 29' ' ' LEU . 98.1 mt -80.75 145.11 31.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.849 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -89.64 118.47 29.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 24' ' ' GLU . 23.9 t80 -91.03 113.61 25.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.29 0.567 . . . . 0.0 111.28 -174.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 28' ' ' LEU . 58.6 tp -83.65 103.03 12.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.154 173.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 28.9 mt-10 -72.25 -26.29 61.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.727 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -62.29 -49.48 75.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.12 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.96 18.27 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -170.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 84.0 mm-40 56.24 71.77 0.54 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.329 0.393 . . . . 0.0 111.733 177.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD12 HD23 ' A' ' 23' ' ' LEU . 91.6 mt -138.64 141.45 39.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.683 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 20' ' ' LEU . 96.0 mt -111.03 109.35 19.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -116.11 134.24 60.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.624 0.249 . . . . 0.0 110.803 -174.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.492 HD21 ' HB2' ' A' ' 33' ' ' ARG . 43.3 t30 -111.84 115.58 29.25 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.927 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.0 -16.6 61.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.661 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HB2' HD21 ' A' ' 31' ' ' ASN . 65.3 mtp85 -70.92 -20.41 62.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.466 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 15' ' ' LYS . 67.2 mt -121.98 -16.94 7.43 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 m120 65.46 28.36 11.57 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.595 0.712 . . . . 0.0 110.255 -173.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.5 mt -118.78 146.84 44.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.005 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.22 140.88 52.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -108.75 145.02 35.79 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.916 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 39' ' ' ARG . 53.6 mtt180 -91.36 139.8 30.38 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.923 0.392 . . . . 0.0 111.704 -171.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 67.9 mt -102.75 111.14 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 167.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -116.61 104.15 11.1 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.879 -170.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.9 t70 56.65 67.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.353 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.42 -9.56 14.17 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.678 -0.692 . . . . 0.0 114.225 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 69.3 mt -121.32 114.85 31.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 117.438 0.619 . . . . 0.0 111.369 -177.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 10.1 Cg_exo -72.16 119.09 5.94 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.793 2.329 . . . . 0.0 111.124 173.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.5 95.46 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.054 0.454 . . . . 0.0 110.454 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.56 88.31 7.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.145 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -134.12 162.61 31.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.796 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.0 mt -77.57 -38.38 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.023 0.439 . . . . 0.0 110.247 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -75.21 -18.86 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.155 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -87.73 -7.25 57.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.089 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.16 117.15 8.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -106.88 149.47 27.4 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.913 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -74.58 124.45 26.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 120.776 0.322 . . . . 0.0 110.768 -175.224 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.725 HD13 HD22 ' A' ' 29' ' ' LEU . 69.9 mt . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.988 0.423 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.21 147.47 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.154 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.1 m -76.67 143.95 72.52 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.242 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.17 -24.19 32.65 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.608 2.205 . . . . 0.0 111.694 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.732 ' HD3' HG23 ' A' ' 49' ' ' ILE . 27.1 mmmt -92.43 -66.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.13 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -88.83 -20.21 24.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.266 -172.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 68.4 mttt 61.4 18.24 9.13 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.003 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.38 163.25 46.5 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.659 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.75 124.17 12.78 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.809 2.339 . . . . 0.0 111.952 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 76.4 mt -77.23 136.45 38.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.701 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -89.66 120.79 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -86.93 128.13 35.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.009 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 9.1 mp -102.11 116.89 33.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.925 173.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.95 -29.96 69.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.418 -174.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -59.1 -48.2 82.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -174.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -124.02 9.62 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -171.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 2.4 mp0 57.89 61.09 2.49 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.27 0.557 . . . . 0.0 109.921 -174.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 97.8 mt -117.08 139.13 51.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.791 -175.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.725 HD22 HD13 ' A' ' 11' ' ' LEU . 54.2 mt -110.57 108.69 18.72 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.66 125.05 70.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.56 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -84.12 115.7 22.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -76.39 -11.17 59.85 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.411 -172.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.45 -38.65 21.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.201 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.6 mt -107.56 -15.15 14.67 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.2 m120 67.48 37.15 3.54 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.278 0.561 . . . . 0.0 110.896 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.78 146.54 43.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.137 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.7 139.39 54.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.141 0.496 . . . . 0.0 111.903 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -119.15 140.93 49.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 39' ' ' ARG . 9.7 mtm180 -97.79 148.84 22.97 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.729 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 59.8 mt -92.2 110.25 22.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 165.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -123.91 120.83 33.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.978 -168.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t0 61.63 28.43 17.61 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.719 0.771 . . . . 0.0 110.87 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.13 0.86 73.39 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.805 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -122.87 117.73 28.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.604 0.24 . . . . 0.0 110.784 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 16.9 Cg_exo -67.79 118.69 5.78 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.532 2.155 . . . . 0.0 111.046 173.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.37 80.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.33 0.586 . . . . 0.0 110.586 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.12 73.7 4.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.051 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 96.1 mt -121.08 127.01 51.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.732 HG23 ' HD3' ' A' ' 15' ' ' LYS . 78.5 mt -48.69 -59.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.261 -0.882 . . . . 0.0 112.932 -175.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -89.82 7.51 36.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.524 -172.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 48' ' ' LEU . 6.8 tp10 -102.24 -4.68 25.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.24 0.543 . . . . 0.0 109.702 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.28 140.59 57.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.9 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -114.82 149.03 37.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.997 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.1 128.99 37.08 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.174 -175.564 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 20' ' ' LEU . 97.5 mt . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.48 156.94 47.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.137 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 49.3 t -65.07 141.26 98.28 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.663 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 25.8 Cg_exo -64.36 -21.21 66.86 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.606 2.204 . . . . 0.0 112.94 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -79.92 -71.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 112.021 -177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -98.25 -9.84 24.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 -174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 88.1 mttt 61.62 35.17 17.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.727 -176.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -80.23 141.57 23.26 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.347 173.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 31.8 Cg_exo -58.57 136.35 73.53 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.069 2.513 . . . . 0.0 112.687 -178.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 11' ' ' LEU . 94.0 mt -83.67 133.12 34.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.922 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -84.66 118.78 24.6 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -89.33 114.07 25.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.061 0.458 . . . . 0.0 111.766 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 8.7 mp -90.96 104.15 16.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.455 174.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.27 -46.38 88.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.115 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 m -56.92 -49.7 74.83 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -172.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -107.0 7.63 29.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 55.37 58.53 4.55 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.214 0.53 . . . . 0.0 110.506 -178.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 97.8 mt -121.8 141.58 51.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.543 ' HB3' HD13 ' A' ' 20' ' ' LEU . 95.9 mt -114.68 109.79 18.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.952 175.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -116.96 117.95 57.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.012 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.503 ' HB2' HD23 ' A' ' 20' ' ' LEU . 26.1 t30 -76.74 115.74 16.78 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 174.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.14 -15.63 61.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.579 . . . . 0.0 110.945 -172.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -77.02 -30.25 55.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.728 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.3 mt -114.42 -10.91 12.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.081 0.467 . . . . 0.0 110.104 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 54.37 52.47 12.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.772 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.26 150.09 40.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.884 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.6 128.8 54.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.226 0.536 . . . . 0.0 111.83 -172.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -109.68 140.35 43.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.248 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -93.19 140.13 29.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.134 -175.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -99.2 112.2 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 171.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -126.91 126.73 43.75 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 64.8 13.81 8.73 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.882 0.848 . . . . 0.0 110.75 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.68 7.52 66.56 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.792 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.1 mt -107.86 115.59 58.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HB3' HD12 ' A' ' 29' ' ' LEU . 9.6 Cg_exo -71.94 105.38 1.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.562 2.174 . . . . 0.0 110.929 174.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.52 95.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.71 35.4 1.04 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.124 -176.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 91.1 mt -84.72 120.74 26.75 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.963 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.2 -34.85 65.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.191 0.52 . . . . 0.0 110.596 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.29 -28.57 69.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.18 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 3.8 mm-40 -93.67 -10.0 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.945 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.91 128.9 37.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.238 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 m -113.0 148.22 35.54 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.78 124.32 22.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 . . . . . 0 C--N 1.319 -0.746 0 CA-C-O 121.6 0.714 . . . . 0.0 112.014 -168.147 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.578 HD13 HD11 ' A' ' 47' ' ' LEU . 63.5 mt . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.664 0.269 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.43 173.15 11.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.758 0.313 . . . . 0.0 111.02 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 m -87.6 126.48 61.77 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.19 45.65 1.6 Allowed 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.185 2.59 . . . . 0.0 112.934 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -156.85 -73.52 0.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.569 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -91.56 -19.92 22.24 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt 59.64 48.45 9.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.082 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.16 -177.27 30.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.217 -0.902 . . . . 0.0 112.109 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.03 129.83 13.68 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.749 2.299 . . . . 0.0 113.114 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 29' ' ' LEU . 77.5 mt -88.24 128.5 35.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.897 176.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -89.76 115.99 27.53 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 33.6 t80 -94.11 132.72 38.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.468 . . . . 0.0 111.289 -173.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.54 106.5 15.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.707 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.575 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 1.6 mp0 -63.97 -27.34 69.06 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 m -68.91 -34.6 75.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.94 7.29 8.01 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.56 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 5.1 mp0 54.79 53.36 10.61 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.114 0.483 . . . . 0.0 111.276 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -118.94 139.26 51.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.214 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 20' ' ' LEU . 88.6 mt -110.41 108.43 18.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 172.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.95 125.33 69.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-O 120.985 0.421 . . . . 0.0 111.498 -172.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -95.74 114.07 25.77 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 170.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -82.54 -13.51 56.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.402 0.62 . . . . 0.0 110.434 -173.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -79.97 -36.02 36.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.371 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.9 mt -97.59 -15.78 20.33 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.058 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.71 28.97 7.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.548 0.689 . . . . 0.0 109.68 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.3 mt -118.4 140.02 50.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.621 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.98 139.84 53.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.007 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -110.7 138.92 46.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.149 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -100.6 142.75 31.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.919 0.39 . . . . 0.0 111.486 -173.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 62.3 mt -94.67 116.6 36.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 169.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -124.01 123.46 40.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.811 -173.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.4 t70 63.17 20.89 12.55 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.733 0.778 . . . . 0.0 111.348 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.66 -1.94 66.63 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.239 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.9 mt -110.92 116.71 51.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.704 0.288 . . . . 0.0 110.581 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 16.3 Cg_exo -68.63 109.93 2.2 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.53 2.153 . . . . 0.0 111.507 175.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.2 t -80.82 90.55 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.987 0.422 . . . . 0.0 109.987 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.578 HD11 HD13 ' A' ' 11' ' ' LEU . 72.2 mt -102.64 75.0 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.202 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 7.7 mp -120.25 145.85 46.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.123 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 mt -66.47 -46.26 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.837 -172.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -76.62 -32.1 57.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.276 0.56 . . . . 0.0 110.182 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 4.4 mp0 -78.77 -3.4 44.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.162 -175.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.61 127.11 29.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.075 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -104.31 146.23 29.1 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.46 138.82 36.63 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 77.2 t-105 . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 -175.348 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 121.187 0.518 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.02 163.68 20.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.313 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.533 ' HB2' HD21 ' A' ' 20' ' ' LEU . 41.6 t -78.14 130.96 70.68 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.338 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 15.2 Cg_exo -69.84 35.72 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.735 2.957 . . . . 0.0 113.111 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 13' ' ' CYS . 41.3 mttm -120.11 -66.22 1.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.266 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -130.94 21.01 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -174.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? 66.42 19.7 10.94 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.608 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.469 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -69.04 130.08 24.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.872 177.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 28.3 Cg_exo -62.52 139.56 76.84 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.975 2.45 . . . . 0.0 112.66 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 13' ' ' CYS . 60.0 mt -99.43 152.04 20.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.033 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -85.19 119.61 25.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -86.45 109.11 18.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.359 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 28' ' ' LEU . 92.3 mt -83.71 113.71 21.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.783 175.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -22.27 31.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.277 0.56 . . . . 0.0 111.133 -176.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.91 -57.05 4.34 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.264 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -107.89 3.87 24.76 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 8.5 mp0 52.7 71.89 0.45 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.462 0.648 . . . . 0.0 112.517 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.767 ' HB2' HD12 ' A' ' 23' ' ' LEU . 95.8 mt -133.92 147.48 51.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.661 177.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' HB3' HD13 ' A' ' 20' ' ' LEU . 88.9 mt -110.68 109.23 19.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.61 125.62 72.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.851 0.357 . . . . 0.0 111.109 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -83.11 114.39 21.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 172.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -84.95 -6.16 59.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.178 0.513 . . . . 0.0 110.753 -172.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -97.31 -35.38 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.648 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.2 mt -102.1 -10.72 19.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.403 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.1 m120 65.69 35.32 7.0 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.412 0.445 . . . . 0.0 111.236 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.4 mt -118.57 144.73 45.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.3 141.72 51.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.014 0.435 . . . . 0.0 111.714 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -117.43 155.01 30.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.109 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -97.69 163.15 12.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.223 0.535 . . . . 0.0 111.501 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.5 mt -121.45 133.86 66.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -121.23 99.48 6.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.631 0.253 . . . . 0.0 110.826 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.9 t70 53.34 59.11 4.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.6 173.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.37 -19.64 34.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.681 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.5 mt -107.59 115.18 59.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 117.118 0.459 . . . . 0.0 110.72 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -68.46 131.86 24.15 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.513 2.142 . . . . 0.0 111.499 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -93.01 100.55 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.121 0.486 . . . . 0.0 110.107 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -98.74 77.56 2.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.232 0.539 . . . . 0.0 110.569 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.75 124.82 49.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.332 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.89 -34.75 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.145 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -78.12 0.71 23.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.21 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -115.59 0.52 13.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.235 0.54 . . . . 0.0 110.064 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.43 109.16 6.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.855 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.5 p -102.43 149.5 24.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.142 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.32 134.79 52.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.11 0.481 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.7 t-105 . . . . . 0 C--N 1.317 -0.847 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.381 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.091 0.472 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.33 147.54 24.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.899 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.32 125.9 92.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -57.31 -38.39 94.95 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.718 2.278 . . . . 0.0 113.035 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -88.92 -54.37 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 111.204 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.537 ' HB2' HD11 ' A' ' 34' ' ' LEU . 12.2 t70 -81.06 -24.47 37.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.886 -172.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt 61.12 30.21 19.28 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 111.019 -177.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.48 -178.99 21.79 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.737 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.0 158.72 45.65 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 122.819 2.346 . . . . 0.0 112.805 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -116.56 136.39 53.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -86.94 122.46 30.82 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -90.92 116.32 28.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.434 -175.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.675 ' O ' ' HA ' ' A' ' 27' ' ' GLN . 3.7 mm? -82.97 136.78 34.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.522 172.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -95.29 -31.11 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -171.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.5 t -90.79 -47.86 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.493 0.663 . . . . 0.0 109.631 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.51 -29.58 52.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.789 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.675 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 38.5 mt-30 51.53 69.3 0.68 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.632 -176.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD22 ' HA ' ' A' ' 39' ' ' ARG . 79.6 mt -133.41 161.27 35.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.345 -1.298 . . . . 0.0 108.321 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HG ' HD11 ' A' ' 40' ' ' ILE . 98.3 mt -111.5 110.09 20.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 37' ' ' ALA . 31.9 t -116.07 129.21 72.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.625 -176.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -100.36 114.93 28.84 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -78.61 -6.84 56.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.356 -172.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.6 mtp85 -79.06 -31.19 44.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.814 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 16' ' ' ASP . 84.3 mt -104.53 -16.37 15.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.04 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 66.3 28.09 9.96 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 122.037 0.923 . . . . 0.0 109.257 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.704 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 99.0 mt -118.45 144.39 46.01 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.153 -177.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.418 ' CB ' HG22 ' A' ' 30' ' ' VAL . . . -121.76 140.63 52.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.282 -177.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -108.2 124.83 50.88 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.553 ' HA ' HD22 ' A' ' 28' ' ' LEU . 7.3 ptm180 -78.44 140.58 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.231 0.539 . . . . 0.0 111.277 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 ' HG ' ' A' ' 29' ' ' LEU . 60.6 mt -101.33 116.87 45.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.352 174.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -94.67 93.66 7.68 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.8 t70 46.48 72.81 0.21 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.803 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.32 -9.03 43.14 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.732 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.8 mt -115.93 104.28 52.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 117.383 0.591 . . . . 0.0 110.931 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 46.3 Cg_endo -69.7 123.31 10.0 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.575 2.183 . . . . 0.0 112.306 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.3 t -85.54 88.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.245 0.545 . . . . 0.0 109.825 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.78 68.74 10.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.785 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.27 121.17 38.09 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.9 mt -58.6 -40.05 77.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.434 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.01 -12.01 61.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.234 -177.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 -4.68 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.95 0.405 . . . . 0.0 110.683 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.704 ' HB1' ' HB3' ' A' ' 36' ' ' LEU . . . -69.16 110.83 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.614 -178.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -95.42 161.77 13.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.341 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.67 129.87 35.2 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.836 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 121.025 0.44 . . . . 0.0 110.659 -176.236 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD13 HD11 ' A' ' 29' ' ' LEU . 81.8 mt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.913 0.387 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.72 169.24 10.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.77 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.8 m -88.64 142.46 30.93 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.109 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.11 -6.13 18.47 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.709 2.272 . . . . 0.0 112.732 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -92.44 -69.77 0.73 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.582 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -120.51 12.26 11.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 110.816 -175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 93.0 mttt 51.36 34.52 11.98 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.818 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.58 166.24 54.09 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.708 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -68.96 143.55 55.12 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 123.221 2.614 . . . . 0.0 112.776 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 29' ' ' LEU . 88.1 mt -115.04 130.05 56.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.075 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -93.41 133.57 36.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -92.41 122.4 34.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.133 0.492 . . . . 0.0 111.585 -174.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -105.5 130.33 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.933 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -80.24 -7.49 59.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.084 -173.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 m -51.52 -57.91 7.75 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -135.9 23.3 3.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.538 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 2.3 mp0 61.06 75.49 0.41 Allowed 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.579 0.704 . . . . 0.0 109.171 -170.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.5 mt -121.29 144.42 48.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.797 -174.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 20' ' ' LEU . 95.9 mt -110.8 121.37 45.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.724 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.1 t -109.21 120.63 60.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.171 0.51 . . . . 0.0 110.472 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -78.48 116.21 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.661 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -91.43 25.76 2.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.622 0.725 . . . . 0.0 110.753 -173.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -115.73 -59.25 2.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.148 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -100.35 -6.28 26.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.924 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 64.83 67.22 0.55 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.242 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -135.26 160.97 36.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.525 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 55' ' ' TRP . . . -122.43 137.84 54.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.121 0.486 . . . . 0.0 111.702 -176.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.409 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 95.2 m-85 -115.0 145.43 42.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.121 174.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -100.78 140.71 34.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.387 -173.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 70.8 mt -106.92 121.72 60.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -92.99 94.49 8.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.657 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.8 t70 58.81 16.63 4.62 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.606 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.413 ' H ' HG22 ' A' ' 40' ' ' ILE . . . 126.98 -15.78 6.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.672 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 3.8 mp -107.01 114.84 61.06 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 44' ' ' ILE . 17.3 Cg_exo -66.45 128.51 19.38 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.017 2.478 . . . . 0.0 112.488 -177.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.45 84.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.9 mt -90.5 78.04 6.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.823 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 93.8 mt -116.74 139.51 50.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.469 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.8 mt -73.25 -32.9 39.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.031 0.443 . . . . 0.0 110.192 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.48 -26.18 60.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.992 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 7.2 mm-40 -92.78 3.95 54.71 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.262 -178.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.92 106.55 0.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 m -97.95 147.2 24.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.328 -173.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.51 124.35 29.4 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 56.8 t-105 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.368 -172.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.86 150.74 39.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 15' ' ' LYS . 17.9 t -65.08 125.99 90.35 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.345 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 22.2 Cg_exo -63.67 -15.6 49.71 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.824 2.349 . . . . 0.0 112.671 -177.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.464 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 52.3 tptt -83.12 -41.23 18.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.879 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -131.11 -2.82 3.97 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.066 -0.654 . . . . 0.0 112.292 -174.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 67.05 18.36 10.52 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.005 0.431 . . . . 0.0 111.234 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.05 137.43 19.91 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.718 -0.754 . . . . 0.0 111.544 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.24 133.6 50.61 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.65 2.233 . . . . 0.0 112.337 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 87.5 mt -80.26 127.1 31.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.558 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -84.31 126.22 32.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HE1' ' HG3' ' A' ' 24' ' ' GLU . 17.0 t80 -86.28 117.64 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.646 -174.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.64 116.39 31.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.382 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' HE1' ' A' ' 22' ' ' TYR . 58.5 mp0 -72.64 -15.22 61.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.942 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 m -48.5 -55.38 11.17 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.834 0.349 . . . . 0.0 111.733 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -132.71 19.82 4.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.07 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 56.61 74.15 0.41 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.644 -175.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.0 mt -122.27 147.22 46.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.612 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 97.3 mt -111.17 109.36 19.38 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 173.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -109.75 124.08 66.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.914 0.388 . . . . 0.0 111.665 -172.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -84.37 113.88 21.48 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 171.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -84.47 -10.59 57.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.064 -170.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -73.76 -34.63 64.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -115.46 1.18 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.17 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.6 t30 58.02 44.13 19.98 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.558 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -118.0 145.55 44.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.616 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 55' ' ' TRP . . . -120.99 128.29 52.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.217 0.532 . . . . 0.0 111.124 -176.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 47' ' ' LEU . 88.1 m-85 -102.51 135.0 44.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.946 -1.024 . . . . 0.0 108.579 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -98.15 140.16 32.88 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.26 0.552 . . . . 0.0 111.874 -171.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' A' ' 45' ' ' PRO . 65.2 mt -103.45 111.86 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -96.44 99.76 11.41 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -177.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.0 t0 44.92 55.44 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.026 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.12 -14.84 61.05 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.529 -0.843 . . . . 0.0 113.617 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -107.88 107.92 60.82 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.205 0.503 . . . . 0.0 110.776 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.463 ' HB3' HG12 ' A' ' 40' ' ' ILE . 96.5 Cg_endo -83.71 120.76 2.79 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.792 2.328 . . . . 0.0 112.535 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.9 t -95.06 113.99 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 82.9 mt -111.43 31.79 5.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.313 0.578 . . . . 0.0 110.891 -174.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 91.9 mt -88.98 135.35 33.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.861 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.467 HD12 ' H ' ' A' ' 49' ' ' ILE . 3.1 mp -58.89 -46.68 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -28.26 69.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.67 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 59.2 mm-40 -95.09 3.29 54.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.378 -177.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.19 142.88 27.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.284 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -115.74 150.01 37.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -73.83 132.39 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.441 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 50.9 t-105 . . . . . 0 C--N 1.32 -0.688 0 CA-C-O 121.32 0.581 . . . . 0.0 111.614 -170.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.9 mt . . . . . 0 C--O 1.235 0.317 0 CA-C-O 121.094 0.473 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.55 156.23 42.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.996 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' HD21 ' A' ' 20' ' ' LEU . 38.1 t -81.55 126.63 75.57 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.283 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.71 9.64 0.56 Allowed 'Trans proline' 0 N--CA 1.476 0.447 0 C-N-CA 122.973 2.448 . . . . 0.0 113.286 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -85.18 -42.02 15.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.861 0.362 . . . . 0.0 110.185 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -151.98 12.78 0.59 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.943 0.401 . . . . 0.0 111.389 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.7 tttt 65.48 32.81 9.22 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.8 0.809 . . . . 0.0 110.435 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.73 148.5 21.82 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.349 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.45 143.82 93.87 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.773 2.315 . . . . 0.0 113.026 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' A' ' 13' ' ' CYS . 95.5 mt -100.04 131.11 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.263 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -95.25 121.55 37.02 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -85.63 127.01 34.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.076 0.465 . . . . 0.0 110.913 -174.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -106.98 112.46 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.856 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.2 -12.66 42.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.973 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -63.17 -48.08 79.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.528 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -131.86 7.45 4.39 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -173.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 62.78 40.84 9.53 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.084 0.469 . . . . 0.0 110.826 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.11 157.97 25.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 84.4 mt -109.9 110.7 21.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.4 177.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' A' ' 37' ' ' ALA . 48.4 t -110.51 120.8 62.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.926 0.394 . . . . 0.0 110.635 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -73.19 119.52 17.55 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.23 -19.47 65.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.916 -171.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -88.64 -52.27 5.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.0 111.11 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.45 -19.87 32.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.876 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t30 66.33 38.11 4.57 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 122.092 0.949 . . . . 0.0 109.732 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -117.73 146.62 43.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.617 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -122.52 138.24 54.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.359 0.599 . . . . 0.0 111.994 -172.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -107.15 149.38 27.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.62 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 39' ' ' ARG . 40.0 mtt180 -101.0 141.83 33.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.518 -173.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -110.39 134.61 52.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -127.08 95.32 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.869 0.366 . . . . 0.0 110.425 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 51.73 72.53 0.37 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.942 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.72 -14.98 8.47 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.555 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.459 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 65.2 mt -108.36 112.48 61.03 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.958 0.379 . . . . 0.0 110.593 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 44' ' ' ILE . 6.1 Cg_exo -79.23 119.6 4.27 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.983 2.455 . . . . 0.0 111.856 178.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.542 HG13 HD23 ' A' ' 48' ' ' LEU . 65.5 t -77.84 96.88 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.46 38.23 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.268 -173.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.542 HD23 HG13 ' A' ' 46' ' ' VAL . 3.6 mm? -81.35 123.65 28.72 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.011 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.8 mt -58.87 -37.65 68.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.86 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.15 -8.04 57.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.167 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 22.5 mm-40 -107.09 4.88 27.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.46 126.69 30.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 m -111.38 148.63 32.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.101 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.84 128.93 34.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.205 -175.556 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.614 HD13 HD11 ' A' ' 29' ' ' LEU . 87.6 mt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.04 149.09 44.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.671 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 2.9 p -67.1 135.32 93.82 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.825 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 47' ' ' LEU . 36.1 Cg_endo -65.36 -25.96 56.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.899 2.4 . . . . 0.0 113.224 -175.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -90.99 -57.0 2.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.781 0.324 . . . . 0.0 111.616 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.633 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 16.5 t70 -84.86 -27.17 26.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.638 -172.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 tptt 65.04 17.96 11.29 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.216 0.607 . . . . 0.0 110.588 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.64 176.54 36.67 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.145 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.49 140.59 57.98 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.966 2.444 . . . . 0.0 112.639 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 13' ' ' CYS . 88.8 mt -110.35 138.93 46.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.428 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -89.97 124.4 34.71 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.487 ' HD1' ' HG3' ' A' ' 24' ' ' GLU . 31.9 t80 -86.2 109.55 18.98 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -85.57 95.13 9.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 176.564 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' HG3' ' HD1' ' A' ' 22' ' ' TYR . 1.9 mp0 -65.28 -24.53 67.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.432 -171.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -72.03 -30.71 65.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.283 -174.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -132.13 9.11 4.43 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.964 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 13.0 mp0 56.23 62.22 2.43 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.19 0.519 . . . . 0.0 110.902 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.5 mt -124.99 148.13 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.292 -178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 11' ' ' LEU . 95.8 mt -113.98 110.6 20.31 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.0 t -109.52 132.56 57.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.564 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.479 ' HB2' HD23 ' A' ' 20' ' ' LEU . 46.3 t30 -116.76 115.65 25.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.039 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.94 -23.79 67.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.817 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 33' ' ' ARG . 15.1 mtp180 -76.25 -13.69 60.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.017 -178.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.0 mt -121.5 -17.72 7.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.593 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.61 18.3 11.18 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.672 0.749 . . . . 0.0 109.254 -175.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 54' ' ' GLU . 88.0 mt -118.91 153.79 34.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.416 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.52 141.33 51.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.121 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -104.57 141.54 36.22 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 175.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 39' ' ' ARG . 30.0 mtm180 -93.55 139.46 30.73 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.964 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.461 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 66.3 mt -104.3 112.59 38.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 170.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -104.67 96.02 6.29 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.402 -174.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 47.89 71.61 0.33 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.952 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.45 -20.46 30.59 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.706 -0.679 . . . . 0.0 113.297 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.9 mt -110.1 107.65 58.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 117.209 0.504 . . . . 0.0 111.211 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 2.7 Cg_exo -75.36 109.94 3.01 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.862 2.375 . . . . 0.0 111.101 175.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.44 HG11 ' HG2' ' A' ' 51' ' ' GLU . 34.2 t -79.49 82.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.456 0.646 . . . . 0.0 110.141 -178.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.485 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 94.0 mt -87.36 79.27 8.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.316 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -129.36 141.17 51.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.873 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.9 -39.58 67.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.273 0.558 . . . . 0.0 110.089 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.36 -27.51 67.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.053 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HG2' HG11 ' A' ' 46' ' ' VAL . 11.8 tp10 -92.77 -9.24 41.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.727 -175.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.47 123.79 22.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 m -105.03 152.65 22.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.203 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.444 ' HA ' HD23 ' A' ' 36' ' ' LEU . 37.4 tt0 -76.29 124.48 27.57 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.347 -172.822 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 121.133 0.492 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.93 155.16 28.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.093 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 27.9 m -63.84 149.51 92.98 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.698 179.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.75 -27.05 26.98 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.248 1.965 . . . . 0.0 113.376 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -103.64 -70.84 0.75 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.657 -176.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.1 -25.43 59.79 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.769 0.319 . . . . 0.0 110.855 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 29.5 mtpt 66.31 27.8 10.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.813 176.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.403 ' HA3' ' NH1' ' A' ' 33' ' ' ARG . . . -77.72 162.56 50.61 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.12 171.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.55 118.93 5.84 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.653 2.235 . . . . 0.0 112.222 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.31 142.1 54.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.947 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -85.13 127.42 34.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -91.74 124.41 35.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.213 -175.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mp -107.87 113.84 27.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.295 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -62.24 -30.66 71.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.202 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -49.44 -70.15 0.1 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.248 -172.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -114.93 19.33 15.91 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.423 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 57.78 65.25 1.36 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.998 0.428 . . . . 0.0 110.252 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -128.31 146.8 50.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.205 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.4 mt -112.32 117.12 31.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.272 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -109.63 132.55 57.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -173.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -107.31 122.22 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -62.4 -41.36 98.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.361 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 3.0 mpt_? -72.48 -18.14 61.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -168.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 83.8 mt -121.37 -5.3 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.949 -177.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 59.84 27.53 16.87 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.677 0.751 . . . . 0.0 110.263 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 34' ' ' LEU . 99.6 mt -119.06 157.26 28.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.712 -176.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.32 131.66 54.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.178 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -96.34 136.24 37.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.458 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' HD3' ' HG3' ' A' ' 51' ' ' GLU . 63.5 mtp180 -90.84 140.1 30.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.08 -168.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.46 111.48 36.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -106.31 96.16 6.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.967 0.413 . . . . 0.0 110.345 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 52.57 67.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.962 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.99 -13.15 39.34 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.645 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.07 107.75 60.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.945 0.373 . . . . 0.0 110.555 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.16 111.24 3.23 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.149 2.566 . . . . 0.0 111.575 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.6 t -86.02 97.99 6.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.88 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -91.01 43.24 1.14 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.195 0.521 . . . . 0.0 110.786 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -97.88 124.24 42.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.053 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.5 -31.63 53.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.997 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.11 -26.64 61.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' HG3' ' HD3' ' A' ' 39' ' ' ARG . 8.2 tp10 -91.31 -11.38 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.361 0.6 . . . . 0.0 110.174 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.87 138.57 41.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.381 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.2 t -109.81 161.25 15.63 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.117 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -70.8 124.84 25.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.781 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.834 -176.297 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 111.157 0.058 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m 64.94 -169.87 0.2 Allowed 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.334 0.396 . . . . 0.0 111.092 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.85 -175.57 0.16 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -133.47 86.54 40.11 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.185 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.37 -19.69 49.31 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.856 2.371 . . . . 0.0 112.774 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.92 -45.42 93.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.923 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -78.71 7.74 6.46 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.938 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.9 mt -120.49 -65.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.614 0.245 . . . . 0.0 110.992 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 63.67 -167.56 0.21 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.136 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 65.0 t -107.58 114.91 47.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.402 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD13 HD11 ' A' ' 29' ' ' LEU . 86.7 mt -107.63 112.76 25.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.179 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.91 154.45 28.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.494 -177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.563 ' HB2' HD21 ' A' ' 20' ' ' LEU . 36.8 t -67.45 136.75 93.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.792 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 37.4 Cg_exo -61.8 -26.63 79.7 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.878 2.386 . . . . 0.0 113.142 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.913 ' HD3' HG23 ' A' ' 49' ' ' ILE . 54.2 mtmt -100.0 -55.83 2.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.697 0.284 . . . . 0.0 111.539 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.89 -27.29 60.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.998 0.428 . . . . 0.0 110.877 -176.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 41.1 tptt 65.93 10.32 6.84 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.156 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.96 151.72 20.95 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.567 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.38 129.48 25.48 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.687 2.258 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 13' ' ' CYS . 75.6 mt -81.98 146.57 29.67 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.9 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -83.85 120.27 25.86 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -88.63 116.0 26.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.191 -172.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.6 mm? -94.0 112.51 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.14 -28.64 64.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.726 -173.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 m -65.83 -38.81 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -172.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.5 13.58 4.99 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.748 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.567 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 10.9 mp0 52.49 65.16 1.59 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.212 0.529 . . . . 0.0 111.541 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.2 mt -118.61 138.2 52.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.372 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 11' ' ' LEU . 88.8 mt -112.64 108.82 18.02 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -114.05 129.93 69.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.19 -174.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -87.64 115.3 24.98 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 171.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -80.04 -7.08 58.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.35 0.595 . . . . 0.0 111.509 -169.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 33' ' ' ARG . 44.5 mtp180 -99.22 -36.7 9.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.69 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -93.06 -18.24 22.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.9 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.0 m120 67.2 35.84 4.31 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.603 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.2 mt -118.27 147.25 43.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.826 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.7 141.66 51.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.156 0.503 . . . . 0.0 111.714 -174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -111.99 138.25 48.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.892 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -98.06 139.99 33.06 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.18 0.515 . . . . 0.0 111.465 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.567 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 54.6 mt -95.15 111.72 26.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 169.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -108.92 101.73 10.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 -170.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 60.65 45.02 10.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.884 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.38 -16.25 60.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.783 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.8 mm -108.31 108.42 61.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.745 0.273 . . . . 0.0 110.63 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 5.1 Cg_exo -77.28 117.53 4.4 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.229 2.619 . . . . 0.0 111.101 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 51' ' ' GLU . 10.8 t -84.83 87.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.266 0.555 . . . . 0.0 110.437 -177.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -95.14 96.62 9.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.451 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' HB2' ' CB ' ' A' ' 51' ' ' GLU . 95.2 mt -131.97 170.64 14.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.159 178.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.913 HG23 ' HD3' ' A' ' 15' ' ' LYS . 46.8 mt -70.27 -41.61 78.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.462 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -114.67 5.72 15.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.155 0.502 . . . . 0.0 111.392 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG2' ' CG1' ' A' ' 46' ' ' VAL . 9.8 tp10 -90.73 8.17 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.563 0.697 . . . . 0.0 110.024 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.02 128.69 34.35 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.859 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 t -100.67 155.99 17.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.015 0.436 . . . . 0.0 110.553 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.23 133.34 46.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.309 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -117.52 170.27 8.87 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.3 m -59.53 112.44 5.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.59 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -91.43 -159.46 0.08 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.077 2.518 . . . . 0.0 112.474 -176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -72.45 156.12 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.744 178.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -74.24 164.29 26.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 0.0 110.496 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 99.0 mt -100.53 -178.56 3.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.568 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.398 -178.109 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -106.72 110.12 22.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 66.54 108.94 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.763 174.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -134.53 88.11 30.12 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.098 175.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.53 -8.58 19.55 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.921 2.414 . . . . 0.0 112.306 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -74.74 -45.83 41.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.091 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.95 -29.88 67.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.208 175.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.2 mt -75.55 -44.77 41.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.19 -177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 62.44 -172.36 0.16 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.108 0.48 . . . . 0.0 110.394 -176.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.1 t -107.1 94.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 172.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.64 117.91 18.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.738 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.26 147.19 38.03 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.583 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.627 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 12.2 m -71.38 152.84 94.13 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.803 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.666 ' HG3' ' HB3' ' A' ' 47' ' ' LEU . 3.0 Cg_exo -76.4 -3.79 14.24 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.726 2.284 . . . . 0.0 112.027 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -86.18 -75.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.287 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -106.54 0.3 24.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.276 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 43.5 tttp 59.0 33.21 22.9 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.266 -175.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.73 155.28 29.02 Favored Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.679 175.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.42 130.56 34.3 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.071 2.514 . . . . 0.0 112.824 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 29' ' ' LEU . 32.4 mt -79.3 134.52 36.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.974 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -84.69 110.34 18.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -87.2 119.04 27.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.576 -174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.6 mm? -89.29 121.35 31.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 172.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.34 -19.63 56.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -172.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 m -58.31 -63.88 1.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.089 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -126.29 24.71 6.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.173 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 54.49 72.79 0.44 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.4 mt -118.71 138.75 52.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.112 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 20' ' ' LEU . 96.5 mt -114.25 110.41 19.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.92 129.82 70.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.916 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -81.28 116.4 21.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 174.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.97 1.24 24.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.899 0.38 . . . . 0.0 111.473 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -102.83 -47.21 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.86 0.362 . . . . 0.0 111.268 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -101.06 -7.36 23.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.55 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 65.35 47.08 2.42 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.617 0.722 . . . . 0.0 110.119 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.9 mt -117.7 149.84 40.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.9 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.89 140.5 52.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.083 0.468 . . . . 0.0 111.336 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -119.34 146.33 45.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.457 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 39' ' ' ARG . 47.9 mtt180 -96.41 142.3 28.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.005 0.431 . . . . 0.0 110.882 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.462 HD11 ' HG ' ' A' ' 29' ' ' LEU . 67.0 mt -105.18 112.67 39.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.489 174.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -91.5 93.93 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.064 0.459 . . . . 0.0 110.76 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 59.77 16.23 5.42 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.204 174.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.13 -6.82 7.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.673 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -107.95 112.25 61.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.693 0.283 . . . . 0.0 110.573 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.54 118.14 5.5 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.586 2.191 . . . . 0.0 111.601 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.6 t -77.63 91.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.043 0.449 . . . . 0.0 110.269 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.666 ' HB3' ' HG3' ' A' ' 14' ' ' PRO . 94.4 mt -95.33 81.45 3.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.495 -177.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 96.0 mt -128.87 149.91 50.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.617 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.8 mt -73.88 -40.84 53.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.823 0.344 . . . . 0.0 111.71 -174.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -82.49 -25.83 33.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.871 0.367 . . . . 0.0 111.132 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 4.3 mp0 -78.58 -15.21 58.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.792 0.329 . . . . 0.0 111.073 177.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.87 113.72 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.101 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.6 m -105.19 152.03 23.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.465 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.86 125.12 28.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.836 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.47 ' HA ' ' CE3' ' A' ' 55' ' ' TRP . 3.4 t-105 -83.34 -168.34 2.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 -177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 m -36.89 128.57 0.74 Allowed Pre-proline 0 C--N 1.327 -0.4 0 C-N-CA 124.009 0.923 . . . . 0.0 112.79 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.16 153.31 21.83 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.248 2.632 . . . . 0.0 112.567 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -84.61 65.72 9.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.1 p30 51.23 165.64 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.533 1.533 . . . . 0.0 114.956 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.5 tp 49.94 48.18 22.19 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.433 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 121.85 0.834 . . . . 0.0 111.827 -173.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 120.572 0.225 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -115.1 156.91 24.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.819 0.342 . . . . 0.0 110.543 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -92.39 124.34 36.38 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -121.43 88.82 46.55 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.668 0.27 . . . . 0.0 110.326 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HA ' HD12 ' A' ' 8' ' ' LEU . 37.5 Cg_endo -65.53 -11.5 30.75 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.849 2.366 . . . . 0.0 113.019 -175.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -83.52 -44.35 14.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.8 -17.03 64.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.124 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 5' ' ' PRO . 95.3 mt -78.05 -41.58 35.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 56.13 -164.1 0.15 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.913 -178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.83 107.59 19.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.7 mt -110.26 105.57 14.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.046 0.45 . . . . 0.0 110.66 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.76 144.41 50.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.604 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 43.3 t -72.08 123.07 88.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.042 175.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD2' ' OH ' ' A' ' 38' ' ' TYR . 52.3 Cg_exo -57.1 -10.65 6.29 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 123.385 2.723 . . . . 0.0 113.856 -177.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -79.64 -67.41 0.76 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.727 0.299 . . . . 0.0 111.234 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.66 4.28 14.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 111.707 -171.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 69.38 15.53 8.4 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.865 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -71.03 142.49 34.61 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.179 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 39.0 Cg_exo -61.15 141.28 93.12 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.137 2.558 . . . . 0.0 112.602 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 31' ' ' ASN . 91.4 mt -94.68 144.63 25.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.28 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -86.85 126.53 34.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -89.16 101.76 14.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.858 0.361 . . . . 0.0 110.768 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 9.3 mp -91.05 107.02 18.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.319 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -75.47 -9.22 58.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.51 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 p -76.13 -62.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.472 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.94 13.48 30.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.291 -175.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 55.66 55.03 7.58 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.554 0.534 . . . . 0.0 110.218 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 95.6 mt -118.24 140.59 49.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.169 -175.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.96 108.33 18.05 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 169.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -114.81 124.92 71.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.068 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.503 ' HB2' HD23 ' A' ' 20' ' ' LEU . 34.3 t30 -93.16 114.72 27.3 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.22 -13.44 60.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.131 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -78.05 -29.22 49.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.2 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.29 -1.98 8.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 60.66 38.36 18.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.751 0.31 . . . . 0.0 110.74 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.496 HD13 ' HB1' ' A' ' 52' ' ' ALA . 99.0 mt -117.75 133.61 55.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.394 -177.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.12 139.24 53.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.641 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.449 ' OH ' ' HD2' ' A' ' 14' ' ' PRO . 56.2 m-85 -120.19 152.12 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.322 -0.854 . . . . 0.0 108.96 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -101.54 145.31 29.19 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.459 0.647 . . . . 0.0 111.907 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 60.9 mt -95.84 112.55 28.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.57 171.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -109.76 114.86 28.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.723 0.297 . . . . 0.0 110.836 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.3 t70 59.31 36.46 23.54 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.913 0.863 . . . . 0.0 110.537 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.63 -0.46 89.21 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.555 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.5 mt -107.63 110.85 62.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 40.3 Cg_endo -68.79 111.43 2.61 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.171 1.914 . . . . 0.0 111.321 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG12 ' HG3' ' A' ' 51' ' ' GLU . 42.0 t -78.75 89.36 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.262 0.553 . . . . 0.0 110.446 -177.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.9 mt -100.08 81.32 2.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.444 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 89.1 mt -118.1 152.9 34.69 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 mt -56.63 -49.01 79.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.869 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.28 13.22 12.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.934 0.397 . . . . 0.0 111.685 -175.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.545 ' HG3' HG12 ' A' ' 46' ' ' VAL . 66.3 mm-40 -93.95 -8.87 38.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 173.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HB1' HD13 ' A' ' 36' ' ' LEU . . . -70.17 98.37 1.34 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.893 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.9 p -94.32 143.37 26.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.005 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.15 123.96 26.19 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 34.6 t-105 -118.22 173.59 6.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -172.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.8 m -57.24 126.67 74.77 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.831 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.89 128.77 26.53 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.468 2.112 . . . . 0.0 111.783 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -64.96 118.24 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.692 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -75.24 -9.74 58.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.466 0.65 . . . . 0.0 111.302 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.9 mt -85.12 76.43 10.22 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.984 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t 178.26 164.2 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.93 138.35 58.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -118.59 88.15 33.64 Favored Pre-proline 0 C--N 1.322 -0.61 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.525 -170.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.99 -3.79 13.91 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.537 2.158 . . . . 0.0 112.388 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -84.34 -26.2 28.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.268 0.556 . . . . 0.0 109.547 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.0 mt -83.99 5.36 25.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.729 172.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.2 mt -117.06 -36.61 3.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.971 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 66.68 -172.76 0.19 Allowed 'General case' 0 C--O 1.237 0.408 0 O-C-N 123.513 0.508 . . . . 0.0 111.144 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.0 t -82.99 96.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt -88.39 104.17 16.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.41 145.87 39.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.345 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 6.5 p -76.08 129.95 79.32 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.627 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 40.3 Cg_exo -57.14 -32.0 92.09 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.041 2.494 . . . . 0.0 112.781 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HD2' HG23 ' A' ' 49' ' ' ILE . 52.5 mtpt -77.06 -62.21 1.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.0 0.429 . . . . 0.0 111.713 -176.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.578 ' HB2' HD21 ' A' ' 34' ' ' LEU . 29.8 t70 -88.57 -21.95 23.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.694 -170.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? 67.74 20.16 9.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.14 0.495 . . . . 0.0 110.926 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.48 162.91 24.77 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.737 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.03 137.35 52.19 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.03 2.487 . . . . 0.0 112.465 -177.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.549 HD21 ' HB3' ' A' ' 13' ' ' CYS . 85.7 mt -89.75 134.8 33.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.797 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -84.8 129.0 34.88 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.507 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 36.7 t80 -95.02 117.89 30.91 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.352 -173.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -105.53 98.86 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.012 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 4.6 mp0 -62.76 -38.53 90.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 m -51.77 -38.58 56.07 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -173.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -132.71 11.5 4.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.276 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.549 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 32.2 mm-40 56.94 62.46 2.24 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.256 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.25 147.79 52.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.021 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.1 mt -118.42 110.51 17.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.849 174.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.7 t -118.72 134.09 63.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.909 -174.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -104.81 124.99 50.4 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.18 -43.23 82.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.306 -176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -87.73 15.11 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.991 -174.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 16' ' ' ASP . 36.2 mt -124.06 -30.66 3.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.263 172.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 m120 65.02 26.78 12.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.449 0.642 . . . . 0.0 109.797 -173.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.44 HD13 ' HB1' ' A' ' 52' ' ' ALA . 88.5 mt -118.31 147.01 43.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.251 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.25 138.05 54.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.829 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -109.54 141.47 41.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -90.67 144.2 25.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.251 0.548 . . . . 0.0 111.563 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.549 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 69.1 mt -107.69 112.37 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.037 175.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -94.91 107.07 19.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.744 0.307 . . . . 0.0 110.88 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.5 t70 62.21 19.61 11.09 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.808 175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.69 -2.34 34.14 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.249 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.22 107.69 60.8 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -74.63 112.49 3.57 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.088 2.525 . . . . 0.0 111.829 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.19 97.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.098 0.475 . . . . 0.0 109.892 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.7 mt -93.51 89.35 6.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.71 154.36 50.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.91 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.442 HG23 ' HD2' ' A' ' 15' ' ' LYS . 42.3 mt -76.49 -18.81 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.986 0.898 . . . . 0.0 108.948 177.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.14 -18.98 61.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.376 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -104.24 13.22 32.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.639 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.44 ' HB1' HD13 ' A' ' 36' ' ' LEU . . . -79.14 110.35 14.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.985 0.422 . . . . 0.0 111.526 -175.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.3 p -112.95 141.58 46.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.432 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HA ' HD23 ' A' ' 36' ' ' LEU . 33.4 tt0 -76.7 131.35 38.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -135.97 123.51 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -169.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 50.3 m 71.14 107.37 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 169.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -95.04 112.97 0.16 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.802 3.002 . . . . 0.0 111.452 169.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -84.23 151.81 24.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.571 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -59.49 112.21 1.69 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 111.301 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.7 mt -99.92 173.91 6.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.03 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 120.936 0.398 . . . . 0.0 110.999 -176.655 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 m -77.99 95.74 4.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.208 -175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 tp -82.78 124.1 29.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -120.6 93.14 48.34 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.579 -175.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.04 13.07 0.03 OUTLIER 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 124.324 3.35 . . . . 0.0 115.846 -174.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -70.93 -18.27 62.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.412 0.625 . . . . 0.0 109.613 170.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.4 mt -89.99 5.28 47.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.527 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.9 mt -122.23 136.61 54.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.205 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -155.85 155.09 32.33 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.96 93.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.273 0.558 . . . . 0.0 109.518 174.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.4 mt -101.49 135.05 43.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.686 -175.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.588 ' HB1' ' HA ' ' A' ' 17' ' ' LYS . . . -133.37 155.3 49.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.066 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.55 ' SG ' HD21 ' A' ' 20' ' ' LEU . 33.5 m -72.5 145.53 87.73 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.58 16.86 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 123.045 2.497 . . . . 0.0 113.079 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -135.99 -64.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.262 0.553 . . . . 0.0 109.586 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.81 -38.07 73.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.342 -177.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.588 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.2 mtpp 62.26 21.24 12.35 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.865 0.364 . . . . 0.0 111.429 -178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.69 -169.26 35.45 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.382 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -75.62 134.68 17.09 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.854 2.369 . . . . 0.0 113.42 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.55 HD21 ' SG ' ' A' ' 13' ' ' CYS . 74.8 mt -102.69 138.04 40.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.356 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.9 mtm105 -84.99 125.25 32.55 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -90.86 105.63 17.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.594 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.69 109.36 16.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -74.76 -37.77 62.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.462 0.649 . . . . 0.0 110.78 -175.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -71.42 -32.91 68.92 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.906 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -105.73 -16.0 14.8 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -174.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 59.61 49.71 8.09 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.27 0.557 . . . . 0.0 112.009 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.4 mt -136.3 156.76 48.19 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.856 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 59.3 mt -110.37 110.2 20.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.829 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.586 HG22 ' HB2' ' A' ' 37' ' ' ALA . 44.3 t -113.36 127.27 70.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.807 0.336 . . . . 0.0 111.427 -173.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -92.96 117.53 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -62.08 -26.72 68.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.37 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -89.85 -9.22 49.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.537 -175.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.6 mt -117.44 -20.46 9.07 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.7 m120 63.64 24.53 13.97 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.313 0.578 . . . . 0.0 110.799 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.96 147.93 43.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.464 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -122.25 136.37 54.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.602 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -99.61 149.58 23.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.169 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 39' ' ' ARG . 51.0 mtt180 -82.32 140.05 33.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.822 -173.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.9 mt -103.71 111.17 32.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 168.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -103.35 98.65 8.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -171.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 t70 55.46 31.89 17.85 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.28 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.03 -11.85 40.86 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.941 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.9 mt -108.42 116.34 56.57 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 122.466 -0.432 . . . . 0.0 110.52 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.48 120.25 6.81 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.606 2.204 . . . . 0.0 112.401 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.3 t -93.41 99.19 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.063 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.3 mt -94.13 77.35 4.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.2 mt -134.24 144.15 48.23 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.17 -41.83 84.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.812 0.339 . . . . 0.0 111.757 -173.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.93 -17.07 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.697 0.284 . . . . 0.0 110.978 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -90.76 -7.0 53.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.04 165.79 22.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.347 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -128.77 153.23 47.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.451 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -80.62 128.14 33.27 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.2 t-105 -141.11 127.76 20.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.705 0.288 . . . . 0.0 110.496 -175.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.3 m 61.65 83.64 0.2 Allowed Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.945 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.89 174.97 7.05 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.235 2.624 . . . . 0.0 111.163 174.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -91.16 135.19 33.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.224 0.535 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -89.9 175.01 7.37 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.08 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 60' ' ' LEU . 2.4 pt? -74.85 7.15 3.34 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.316 0.579 . . . . 0.0 111.002 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.536 176.283 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -145.53 139.92 27.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.738 0.304 . . . . 0.0 110.748 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.579 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 8.0 tt -93.63 142.7 27.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 176.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.31 89.38 8.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.754 0.312 . . . . 0.0 111.589 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.579 ' HD3' ' O ' ' A' ' 3' ' ' LEU . 4.1 Cg_exo -74.95 -1.52 11.31 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.886 2.39 . . . . 0.0 112.154 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -84.58 -42.82 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.297 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -71.27 -26.89 63.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.703 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -85.12 -53.02 5.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.476 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.516 ' HG2' ' H ' ' A' ' 10' ' ' VAL . 9.4 tt0 60.22 -164.96 0.22 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.547 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.516 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 43.3 t -93.05 103.35 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.832 0.348 . . . . 0.0 111.457 -174.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.11 110.91 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.28 167.78 21.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.71 0.29 . . . . 0.0 111.444 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.619 ' SG ' HD21 ' A' ' 20' ' ' LEU . 75.9 m -86.47 157.73 55.39 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.995 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.11 14.89 2.23 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.637 2.225 . . . . 0.0 113.24 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -120.71 -69.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.665 0.269 . . . . 0.0 111.057 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -89.27 -23.31 22.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.195 0.521 . . . . 0.0 109.88 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 68.4 tttt 61.8 35.5 16.64 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.683 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.465 ' HA3' ' NH1' ' A' ' 33' ' ' ARG . . . -89.51 164.02 31.53 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.26 176.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.32 120.14 7.38 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.112 2.541 . . . . 0.0 112.584 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.619 HD21 ' SG ' ' A' ' 13' ' ' CYS . 51.7 mt -75.34 143.36 42.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.261 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -84.63 124.32 31.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -91.96 122.07 34.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.05 0.453 . . . . 0.0 111.04 -171.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 3.7 mm? -96.03 109.42 21.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.669 173.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.56 -30.56 71.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.796 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 p -51.58 -63.55 1.1 Allowed 'General case' 0 C--O 1.237 0.414 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -124.28 21.58 8.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -176.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 53.57 72.61 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.473 0.654 . . . . 0.0 110.631 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 92.6 mt -120.23 148.99 42.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.717 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' A' ' 20' ' ' LEU . 95.6 mt -122.33 109.81 14.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.286 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -111.18 128.59 67.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.84 0.352 . . . . 0.0 110.578 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -92.41 116.72 29.23 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -81.57 1.66 32.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.082 0.467 . . . . 0.0 111.003 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' NH1' ' HA3' ' A' ' 18' ' ' GLY . 91.7 mtt180 -89.92 -63.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.177 0.513 . . . . 0.0 110.106 172.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.91 -8.86 58.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.153 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.47 30.52 15.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.449 0.643 . . . . 0.0 109.961 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD13 ' HB1' ' A' ' 52' ' ' ALA . 98.3 mt -118.05 150.04 39.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.317 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.85 141.23 52.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.444 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -116.69 147.21 42.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.157 174.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -101.42 140.93 35.04 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.735 0.303 . . . . 0.0 111.221 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 67.4 mt -94.6 113.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -99.62 100.15 11.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.6 t70 47.01 64.9 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.56 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.63 -17.99 41.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.902 -0.666 . . . . 0.0 113.667 176.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.4 mt -109.75 109.86 59.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 117.273 0.536 . . . . 0.0 111.345 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.51 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 45.2 Cg_endo -70.52 109.64 2.51 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.414 2.076 . . . . 0.0 111.48 175.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.8 t -78.06 99.32 2.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.658 -176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.0 mt -101.13 75.66 1.67 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.208 0.528 . . . . 0.0 110.765 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.4 mt -123.14 138.28 54.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.971 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.2 mm -59.98 -34.71 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.105 0.479 . . . . 0.0 110.554 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -69.56 -27.39 65.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.906 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -84.74 -17.54 38.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.757 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB1' HD13 ' A' ' 36' ' ' LEU . . . -63.67 109.48 1.7 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.677 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -117.19 151.44 36.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.307 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -73.63 134.02 43.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -141.25 140.17 33.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.561 -175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.5 m 67.34 92.82 0.06 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 121.613 0.72 . . . . 0.0 112.352 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -82.58 143.96 12.38 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 123.202 2.601 . . . . 0.0 111.224 171.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -99.89 136.64 39.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.856 0.36 . . . . 0.0 110.929 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -96.16 109.77 22.16 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 176.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.8 119.01 11.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.808 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--N 1.328 -0.334 0 O-C-N 124.232 0.957 . . . . 0.0 112.359 -172.391 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtm . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.414 0.149 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m 60.36 26.05 15.58 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.274 0.559 . . . . 0.0 110.565 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 54.6 tp -143.4 155.79 44.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.153 -175.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -114.09 89.28 16.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.554 0.216 . . . . 0.0 111.433 -176.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 3' ' ' LEU . 11.7 Cg_exo -70.97 2.09 4.56 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.97 2.447 . . . . 0.0 112.796 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -86.46 -47.68 9.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.43 -28.99 68.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.734 177.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.3 mt -82.03 104.8 12.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.139 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -119.75 177.5 4.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.164 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.3 t -73.0 100.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.178 0.513 . . . . 0.0 109.845 176.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.639 HD13 HD11 ' A' ' 29' ' ' LEU . 78.3 mt -111.19 123.27 49.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.696 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.97 155.25 49.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.877 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.26 132.83 92.72 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.646 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.96 -31.3 91.3 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 122.727 2.285 . . . . 0.0 112.869 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -91.7 -53.23 4.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.758 0.313 . . . . 0.0 111.09 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -84.95 -24.07 28.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.165 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 66.0 13.82 9.27 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.788 0.435 . . . . 0.0 111.382 -176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -82.15 147.92 26.43 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.958 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 29.3 Cg_exo -61.69 126.0 18.01 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.912 2.408 . . . . 0.0 112.036 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 31' ' ' ASN . 82.4 mt -84.35 140.21 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.254 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -84.95 124.26 31.46 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -86.25 111.14 20.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.696 -173.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.6 100.37 13.19 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -65.92 -42.09 90.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.953 -172.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -60.77 -32.88 72.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.311 -175.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -114.61 -1.43 13.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -173.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 60.82 40.87 15.4 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.865 0.364 . . . . 0.0 110.395 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -118.01 144.25 45.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.004 0.43 . . . . 0.0 111.539 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 11' ' ' LEU . 95.4 mt -110.91 110.95 21.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.408 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -110.18 125.84 67.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.916 -175.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.499 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . 38.0 t30 -97.66 115.75 28.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.98 -15.24 62.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.334 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.15 -28.08 57.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.321 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -120.49 -7.06 9.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -175.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 60.92 33.1 19.97 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.449 0.642 . . . . 0.0 110.134 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.5 mt -117.98 147.37 43.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.384 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.83 135.89 54.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.288 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -109.35 140.57 42.88 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -97.42 143.37 28.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.1 mt -108.85 127.83 65.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.081 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -119.88 93.07 3.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 44.75 73.83 0.14 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.233 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.57 -12.49 58.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.268 174.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.2 mt -107.76 104.55 53.51 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.907 0.384 . . . . 0.0 110.589 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.59 113.2 2.54 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.017 2.478 . . . . 0.0 111.046 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.678 HG13 HD23 ' A' ' 48' ' ' LEU . 58.5 t -75.7 87.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.124 0.488 . . . . 0.0 110.142 179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.0 mt -95.73 40.54 1.11 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.486 0.66 . . . . 0.0 110.185 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.678 HD23 HG13 ' A' ' 46' ' ' VAL . 4.0 mm? -84.86 130.16 34.7 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.59 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.3 mt -78.06 -34.55 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.94 0.4 . . . . 0.0 111.019 -173.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.33 -27.7 38.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -86.78 -18.74 30.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.69 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.19 145.28 47.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 0.0 111.074 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -122.94 143.53 49.84 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.955 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.6 124.29 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.065 0.46 . . . . 0.0 110.217 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -111.31 122.72 48.6 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.311 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.0 m 56.99 87.96 0.13 Allowed Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 123.921 0.763 . . . . 0.0 111.197 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.17 89.67 0.25 Allowed 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.503 2.135 . . . . 0.0 111.866 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -71.04 -37.71 72.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.841 0.829 . . . . 0.0 109.765 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -113.47 145.94 40.37 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.454 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.592 ' H ' HD23 ' A' ' 60' ' ' LEU . 2.6 pt? -100.22 171.33 7.86 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 121.74 0.781 . . . . 0.0 111.455 -178.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.755 0.312 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 m -91.64 125.44 36.37 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 59.67 -166.95 0.17 Allowed 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.456 0.472 . . . . 0.0 110.636 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -115.72 87.77 18.76 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.914 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -62.24 -10.31 17.96 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.949 2.433 . . . . 0.0 112.786 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -74.09 -26.79 60.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.434 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.8 mt -79.99 -8.8 59.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.0 111.059 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.9 mt -95.1 109.36 21.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.006 0.432 . . . . 0.0 111.271 -175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 24.7 mm-40 -115.67 -174.96 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.974 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -74.13 106.4 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 29' ' ' LEU . 37.6 mt -105.31 104.81 14.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.647 -172.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.96 150.41 43.07 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.246 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 58.7 m -69.15 144.03 94.74 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.876 0.369 . . . . 0.0 111.264 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.2 -1.74 11.81 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.594 2.196 . . . . 0.0 113.427 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.7 ' HD3' HG23 ' A' ' 49' ' ' ILE . 41.8 mtmt -104.53 -72.62 0.7 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.88 0.371 . . . . 0.0 111.41 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -90.59 -8.25 50.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.721 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 39.5 tptt 68.55 19.89 8.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.42 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.65 143.45 36.88 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.468 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.0 134.7 44.18 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 123.276 2.651 . . . . 0.0 112.555 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 31' ' ' ASN . 72.0 mt -92.49 135.94 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.744 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.3 ttm-85 -84.21 130.67 34.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -86.81 112.72 21.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.305 -176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.3 mm? -99.64 109.16 21.66 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.09 -14.28 61.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.944 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -50.32 -56.39 11.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.812 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -136.7 24.81 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.735 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 59.32 72.72 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 123.881 0.738 . . . . 0.0 110.258 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -129.67 148.79 51.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.421 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 11' ' ' LEU . 91.6 mt -115.97 109.88 18.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.472 HG22 ' HB2' ' A' ' 37' ' ' ALA . 44.0 t -112.88 121.84 65.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.265 -175.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.528 ' HB2' HD23 ' A' ' 20' ' ' LEU . 35.6 t30 -94.51 115.31 27.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -77.06 -17.71 58.57 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.889 -170.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -73.71 -26.18 60.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.456 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.53 -16.84 14.12 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.176 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 67.08 26.88 8.81 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.764 0.792 . . . . 0.0 110.203 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.8 mt -118.56 149.53 41.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.573 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.472 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -122.9 141.26 52.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 0.0 111.352 -177.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -104.98 154.98 19.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.545 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -100.21 140.14 34.88 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.938 0.399 . . . . 0.0 111.84 -170.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.417 HD11 ' HG ' ' A' ' 29' ' ' LEU . 66.3 mt -117.99 112.66 39.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -110.41 95.65 5.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 50.28 73.93 0.24 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.856 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.431 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 76.46 -6.55 37.22 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.44 177.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.0 mt -108.8 101.75 45.23 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.18 0.49 . . . . 0.0 110.851 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 6.0 Cg_exo -78.77 108.03 2.36 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.991 2.461 . . . . 0.0 111.332 175.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 t -85.14 91.52 3.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.49 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -97.07 78.31 2.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.302 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.91 142.66 49.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.828 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.7 HG23 ' HD3' ' A' ' 15' ' ' LYS . 71.9 mt -59.34 -50.52 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 123.427 0.454 . . . . 0.0 111.374 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.41 -33.74 75.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.992 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.59 0.62 25.6 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -170.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.24 118.97 12.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.463 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.8 t -102.17 161.74 13.46 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.25 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -87.88 123.2 32.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.591 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 -136.17 129.97 32.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.036 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 15.0 t -142.52 135.36 13.83 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-O 120.965 0.412 . . . . 0.0 110.478 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 56' ' ' THR . 13.4 Cg_exo -70.6 171.95 14.4 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.695 2.264 . . . . 0.0 111.321 174.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 63.89 96.94 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.566 0.541 . . . . 0.0 110.678 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -84.39 95.15 8.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.044 0.449 . . . . 0.0 110.643 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.53 161.9 24.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.137 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 C--N 1.323 -0.547 0 CA-C-O 121.196 0.522 . . . . 0.0 111.32 -175.838 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m 75.04 138.76 0.06 Allowed 'General case' 0 C--O 1.238 0.459 0 O-C-N 123.862 0.726 . . . . 0.0 112.422 173.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 4' ' ' ASP . 28.7 tp -166.04 169.57 14.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.443 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.412 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 21.6 t70 -124.28 87.95 53.36 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.848 0.356 . . . . 0.0 110.504 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.74 -6.78 19.41 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.892 2.394 . . . . 0.0 113.19 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.34 -41.64 98.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.01 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.35 -18.37 60.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.551 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.7 mt -87.83 -46.4 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.228 -171.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 61.49 -164.61 0.24 Allowed 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.199 0.312 . . . . 0.0 110.638 -175.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.0 t -98.78 106.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.035 0.445 . . . . 0.0 110.025 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -89.44 104.25 16.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.779 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.34 150.08 52.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.638 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 42.1 t -66.64 135.13 94.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.309 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 22.9 Cg_exo -66.57 11.15 0.18 Allowed 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.516 2.811 . . . . 0.0 113.711 -178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -94.94 -79.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.24 55.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 111.133 -176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 66.43 25.24 10.28 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 167.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -70.04 119.18 8.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.461 176.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 31.8 Cg_exo -59.01 124.97 16.85 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.903 2.402 . . . . 0.0 112.963 -176.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.43 137.91 31.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.049 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -106.74 128.22 54.04 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 24' ' ' GLU . 49.0 t80 -86.3 120.02 27.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.771 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mp -91.55 114.03 26.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.777 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 31.0 mt-10 -68.67 -10.83 58.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.367 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 p -74.36 -56.94 4.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.091 -177.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -112.13 7.31 19.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.456 -174.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.5 45.45 19.55 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.602 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.9 mt -118.45 155.95 29.89 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.3 mt -110.35 110.06 20.72 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.74 125.62 68.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.018 0.437 . . . . 0.0 110.729 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -76.7 115.79 16.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -79.43 -0.43 32.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.247 0.546 . . . . 0.0 111.27 -172.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -102.98 -58.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 175.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.22 -7.29 59.63 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.513 -173.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.68 44.26 14.52 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.643 0.735 . . . . 0.0 110.997 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.5 mt -118.4 146.48 44.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.567 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.0 128.85 53.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.11 0.481 . . . . 0.0 111.392 -177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -104.45 151.52 23.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.251 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -100.03 164.85 11.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.735 0.302 . . . . 0.0 111.057 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.8 mt -121.58 125.98 74.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.21 103.68 12.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.669 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.9 t70 51.41 58.57 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.465 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.14 -10.98 51.52 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.593 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -109.93 115.33 55.3 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.106 0.453 . . . . 0.0 110.439 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.04 128.24 22.4 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.498 2.132 . . . . 0.0 111.985 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.588 HG13 HD23 ' A' ' 48' ' ' LEU . 56.5 t -90.52 99.26 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.894 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.62 39.26 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.245 0.545 . . . . 0.0 110.529 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.588 HD23 HG13 ' A' ' 46' ' ' VAL . 4.6 mm? -83.51 123.34 29.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.702 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.7 mt -55.02 -45.35 76.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.521 -174.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -77.47 -24.67 50.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.634 0.254 . . . . 0.0 111.67 -173.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -72.16 -22.2 61.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.881 0.372 . . . . 0.0 111.021 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.37 132.46 47.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.117 0.485 . . . . 0.0 110.748 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -118.48 153.88 33.43 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.034 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -65.9 133.76 51.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -103.99 128.06 51.54 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.302 -173.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.9 m 64.84 95.69 0.05 OUTLIER Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.459 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.51 130.66 17.55 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.766 2.311 . . . . 0.0 110.863 172.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -120.92 118.61 30.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.677 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -68.48 110.86 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.034 0.445 . . . . 0.0 110.585 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.9 mt -98.02 141.0 31.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 -176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t 63.42 -179.8 0.15 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.109 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 3' ' ' LEU . 3.3 mm? -122.42 101.89 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.851 0.358 . . . . 0.0 110.353 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' A' ' 6' ' ' GLN . 10.8 t70 -127.15 88.9 53.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.982 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.98 -6.79 11.82 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 123.381 2.721 . . . . 0.0 113.58 -176.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.515 ' HB3' ' OD1' ' A' ' 4' ' ' ASP . 22.4 tt0 -69.11 -47.9 63.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.991 0.424 . . . . 0.0 110.405 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mp -72.73 -21.9 60.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.805 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.7 mt -80.86 -37.77 29.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.572 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 58.41 -165.63 0.17 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.316 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.31 105.47 18.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.9 mt -105.49 119.39 38.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.246 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.74 152.53 51.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 3.3 p -74.35 141.84 77.54 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.11 -7.96 21.97 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.869 2.379 . . . . 0.0 113.398 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' HB2' HD11 ' A' ' 34' ' ' LEU . 29.5 mmtp -83.97 -83.58 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.912 0.387 . . . . 0.0 111.327 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.44 -5.76 51.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 3.8 tppp? 60.54 73.33 0.49 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.041 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.12 158.42 22.68 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.29 127.38 21.84 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' A' ' 29' ' ' LEU . 98.1 mt -80.75 145.11 31.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.849 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -89.64 118.47 29.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 24' ' ' GLU . 23.9 t80 -91.03 113.61 25.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.29 0.567 . . . . 0.0 111.28 -174.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 28' ' ' LEU . 58.6 tp -83.65 103.03 12.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.154 173.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 28.9 mt-10 -72.25 -26.29 61.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.727 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -62.29 -49.48 75.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.12 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.96 18.27 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -170.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 84.0 mm-40 56.24 71.77 0.54 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.329 0.393 . . . . 0.0 111.733 177.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD12 HD23 ' A' ' 23' ' ' LEU . 91.6 mt -138.64 141.45 39.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.683 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 20' ' ' LEU . 96.0 mt -111.03 109.35 19.41 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -116.11 134.24 60.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.624 0.249 . . . . 0.0 110.803 -174.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.492 HD21 ' HB2' ' A' ' 33' ' ' ARG . 43.3 t30 -111.84 115.58 29.25 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.927 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -73.0 -16.6 61.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.661 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HB2' HD21 ' A' ' 31' ' ' ASN . 65.3 mtp85 -70.92 -20.41 62.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.466 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 15' ' ' LYS . 67.2 mt -121.98 -16.94 7.43 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 m120 65.46 28.36 11.57 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.595 0.712 . . . . 0.0 110.255 -173.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.5 mt -118.78 146.84 44.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.005 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.22 140.88 52.08 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -108.75 145.02 35.79 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.916 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 39' ' ' ARG . 53.6 mtt180 -91.36 139.8 30.38 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 120.923 0.392 . . . . 0.0 111.704 -171.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 67.9 mt -102.75 111.14 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 167.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -116.61 104.15 11.1 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.879 -170.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.9 t70 56.65 67.29 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.353 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.42 -9.56 14.17 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.678 -0.692 . . . . 0.0 114.225 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 69.3 mt -121.32 114.85 31.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 117.438 0.619 . . . . 0.0 111.369 -177.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 10.1 Cg_exo -72.16 119.09 5.94 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.793 2.329 . . . . 0.0 111.124 173.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.5 95.46 5.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.054 0.454 . . . . 0.0 110.454 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -90.56 88.31 7.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.145 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -134.12 162.61 31.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.796 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.0 mt -77.57 -38.38 25.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.023 0.439 . . . . 0.0 110.247 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -75.21 -18.86 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.155 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -87.73 -7.25 57.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.089 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.16 117.15 8.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 m -106.88 149.47 27.4 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.913 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -74.58 124.45 26.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -135.54 124.17 23.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.776 0.322 . . . . 0.0 110.768 -175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.5 m 61.74 87.82 0.13 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.828 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -86.74 162.48 9.19 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.505 2.137 . . . . 0.0 111.52 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -63.94 142.68 58.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -81.24 48.35 1.13 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.12 0.486 . . . . 0.0 110.591 -176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.3 tp 46.64 60.03 3.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.362 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.8 -172.822 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -139.39 143.79 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.439 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -84.33 93.0 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.452 ' OD1' ' HB2' ' A' ' 6' ' ' GLN . 14.1 t70 -120.94 90.02 46.43 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.438 -171.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -56.34 -22.81 43.21 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.099 2.532 . . . . 0.0 112.969 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.452 ' HB2' ' OD1' ' A' ' 4' ' ' ASP . 2.1 mp0 -64.49 -48.1 76.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.662 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.8 mt -81.24 1.23 33.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.387 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 93.6 mt -107.1 -48.81 3.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.567 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 30.3 mm-40 66.44 173.14 0.24 Allowed 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.567 0.542 . . . . 0.0 111.118 -176.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.0 t -89.71 96.93 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.725 HD13 HD22 ' A' ' 29' ' ' LEU . 69.9 mt -75.62 109.48 9.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.601 -173.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.21 147.47 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.154 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 16.1 m -76.67 143.95 72.52 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.242 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.17 -24.19 32.65 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.608 2.205 . . . . 0.0 111.694 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.732 ' HD3' HG23 ' A' ' 49' ' ' ILE . 27.1 mmmt -92.43 -66.86 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.13 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -88.83 -20.21 24.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.266 -172.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 68.4 mttt 61.4 18.24 9.13 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.003 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.38 163.25 46.5 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.659 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.75 124.17 12.78 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.809 2.339 . . . . 0.0 111.952 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 76.4 mt -77.23 136.45 38.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.701 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -89.66 120.79 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -86.93 128.13 35.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.009 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 9.1 mp -102.11 116.89 33.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.925 173.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -67.95 -29.96 69.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.418 -174.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -59.1 -48.2 82.47 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -174.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -124.02 9.62 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -171.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 2.4 mp0 57.89 61.09 2.49 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.27 0.557 . . . . 0.0 109.921 -174.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 97.8 mt -117.08 139.13 51.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.791 -175.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.725 HD22 HD13 ' A' ' 11' ' ' LEU . 54.2 mt -110.57 108.69 18.72 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.66 125.05 70.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.56 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -84.12 115.7 22.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -76.39 -11.17 59.85 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.411 -172.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.45 -38.65 21.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.201 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.6 mt -107.56 -15.15 14.67 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.2 m120 67.48 37.15 3.54 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.278 0.561 . . . . 0.0 110.896 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.78 146.54 43.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.137 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.7 139.39 54.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.141 0.496 . . . . 0.0 111.903 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -119.15 140.93 49.33 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 173.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 39' ' ' ARG . 9.7 mtm180 -97.79 148.84 22.97 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.729 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 59.8 mt -92.2 110.25 22.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 165.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -123.91 120.83 33.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.978 -168.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t0 61.63 28.43 17.61 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.719 0.771 . . . . 0.0 110.87 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.13 0.86 73.39 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.805 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.8 mm -122.87 117.73 28.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.604 0.24 . . . . 0.0 110.784 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 16.9 Cg_exo -67.79 118.69 5.78 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.532 2.155 . . . . 0.0 111.046 173.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.1 t -75.37 80.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.33 0.586 . . . . 0.0 110.586 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.12 73.7 4.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.051 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 51' ' ' GLU . 96.1 mt -121.08 127.01 51.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.732 HG23 ' HD3' ' A' ' 15' ' ' LYS . 78.5 mt -48.69 -59.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.261 -0.882 . . . . 0.0 112.932 -175.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -89.82 7.51 36.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.524 -172.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 48' ' ' LEU . 6.8 tp10 -102.24 -4.68 25.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.24 0.543 . . . . 0.0 109.702 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.28 140.59 57.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.9 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -114.82 149.03 37.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.997 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.1 128.99 37.08 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -111.04 134.03 52.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.174 -175.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 57.3 m -90.65 135.44 29.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.291 174.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -66.04 57.31 0.42 Allowed 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 123.368 2.712 . . . . 0.0 114.05 -176.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 63.28 -162.85 0.28 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.064 0.546 . . . . 0.0 110.485 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -85.61 100.99 12.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.688 0.28 . . . . 0.0 110.41 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 tp -89.64 97.03 10.96 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.439 -174.738 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.649 -0.13 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m 68.82 -164.46 0.19 Allowed 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.589 0.556 . . . . 0.0 111.018 176.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 3' ' ' LEU . 3.6 mm? 65.95 -173.83 0.18 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.078 0.466 . . . . 0.0 110.87 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.429 ' OD1' ' HG ' ' A' ' 7' ' ' LEU . 13.1 t70 -122.32 88.63 48.92 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.173 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.31 -21.43 60.53 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.809 2.339 . . . . 0.0 112.964 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -75.1 -24.41 58.09 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' HG ' ' OD1' ' A' ' 4' ' ' ASP . 64.1 mt -74.06 -15.66 61.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.81 0.338 . . . . 0.0 110.58 174.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.1 mt -112.77 -77.97 0.58 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.216 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 61.18 -164.45 0.24 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.985 -172.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.0 t -77.31 101.86 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.181 0.515 . . . . 0.0 110.564 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 20' ' ' LEU . 97.5 mt -103.52 115.69 30.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.69 177.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.48 156.94 47.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.137 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 49.3 t -65.07 141.26 98.28 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.663 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 25.8 Cg_exo -64.36 -21.21 66.86 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.606 2.204 . . . . 0.0 112.94 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -79.92 -71.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 112.021 -177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -98.25 -9.84 24.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 -174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 88.1 mttt 61.62 35.17 17.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.727 -176.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -80.23 141.57 23.26 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.347 173.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 31.8 Cg_exo -58.57 136.35 73.53 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 123.069 2.513 . . . . 0.0 112.687 -178.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 11' ' ' LEU . 94.0 mt -83.67 133.12 34.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.922 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -84.66 118.78 24.6 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -89.33 114.07 25.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.061 0.458 . . . . 0.0 111.766 -172.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 8.7 mp -90.96 104.15 16.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.455 174.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.27 -46.38 88.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.115 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 m -56.92 -49.7 74.83 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -172.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -107.0 7.63 29.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 55.37 58.53 4.55 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.214 0.53 . . . . 0.0 110.506 -178.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 97.8 mt -121.8 141.58 51.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.543 ' HB3' HD13 ' A' ' 20' ' ' LEU . 95.9 mt -114.68 109.79 18.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.952 175.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -116.96 117.95 57.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.012 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.503 ' HB2' HD23 ' A' ' 20' ' ' LEU . 26.1 t30 -76.74 115.74 16.78 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 174.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.14 -15.63 61.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.579 . . . . 0.0 110.945 -172.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -77.02 -30.25 55.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.728 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.3 mt -114.42 -10.91 12.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.081 0.467 . . . . 0.0 110.104 177.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 54.37 52.47 12.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.772 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.26 150.09 40.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.884 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.6 128.8 54.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.226 0.536 . . . . 0.0 111.83 -172.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -109.68 140.35 43.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.248 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -93.19 140.13 29.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.134 -175.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -99.2 112.2 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 171.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -126.91 126.73 43.75 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -175.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 64.8 13.81 8.73 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.882 0.848 . . . . 0.0 110.75 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.68 7.52 66.56 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.792 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.1 mt -107.86 115.59 58.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HB3' HD12 ' A' ' 29' ' ' LEU . 9.6 Cg_exo -71.94 105.38 1.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.562 2.174 . . . . 0.0 110.929 174.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.5 t -75.52 95.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.71 35.4 1.04 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.124 -176.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 91.1 mt -84.72 120.74 26.75 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.963 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.2 -34.85 65.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.191 0.52 . . . . 0.0 110.596 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.29 -28.57 69.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.18 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 3.8 mm-40 -93.67 -10.0 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.945 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.91 128.9 37.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.238 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 m -113.0 148.22 35.54 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.78 124.32 22.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 177.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -85.64 143.15 28.58 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.6 0.714 . . . . 0.0 112.014 -168.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.5 t -149.18 114.12 3.6 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.417 172.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.16 177.14 3.3 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.802 2.335 . . . . 0.0 112.19 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -76.9 -10.32 59.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.796 0.808 . . . . 0.0 109.956 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -128.63 131.79 48.1 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.897 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mp -105.33 104.73 14.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.044 0.45 . . . . 0.0 111.081 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 175.5 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 ttp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.769 0.318 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -127.03 94.33 3.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.98 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 51.36 83.7 0.05 OUTLIER 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.672 0.608 . . . . 0.0 110.777 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.5 ' OD2' ' HB2' ' A' ' 6' ' ' GLN . 33.9 t70 -118.29 90.34 38.05 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.251 -172.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -67.97 3.94 1.73 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.923 2.415 . . . . 0.0 112.408 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.5 ' HB2' ' OD2' ' A' ' 4' ' ' ASP . 25.6 mm-40 -77.31 -50.97 11.68 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 175.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.28 -38.0 56.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.888 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -91.38 112.65 24.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.203 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -130.73 159.21 37.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.5 t -72.18 97.04 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.097 0.475 . . . . 0.0 110.472 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.578 HD13 HD11 ' A' ' 47' ' ' LEU . 63.5 mt -106.11 155.48 19.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.588 -177.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.43 173.15 11.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.758 0.313 . . . . 0.0 111.02 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 m -87.6 126.48 61.77 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.19 45.65 1.6 Allowed 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.185 2.59 . . . . 0.0 112.934 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -156.85 -73.52 0.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.569 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -91.56 -19.92 22.24 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt 59.64 48.45 9.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.082 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.16 -177.27 30.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.217 -0.902 . . . . 0.0 112.109 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.03 129.83 13.68 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.749 2.299 . . . . 0.0 113.114 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 29' ' ' LEU . 77.5 mt -88.24 128.5 35.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.897 176.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -89.76 115.99 27.53 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 24' ' ' GLU . 33.6 t80 -94.11 132.72 38.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.084 0.468 . . . . 0.0 111.289 -173.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -111.54 106.5 15.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.707 174.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.575 ' HG3' ' CE2' ' A' ' 22' ' ' TYR . 1.6 mp0 -63.97 -27.34 69.06 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -176.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 m -68.91 -34.6 75.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.94 7.29 8.01 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -174.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.56 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 5.1 mp0 54.79 53.36 10.61 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.114 0.483 . . . . 0.0 111.276 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -118.94 139.26 51.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.214 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 20' ' ' LEU . 88.6 mt -110.41 108.43 18.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 172.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -111.95 125.33 69.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-O 120.985 0.421 . . . . 0.0 111.498 -172.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -95.74 114.07 25.77 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 170.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -82.54 -13.51 56.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.402 0.62 . . . . 0.0 110.434 -173.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -79.97 -36.02 36.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.371 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.9 mt -97.59 -15.78 20.33 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.058 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.71 28.97 7.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.548 0.689 . . . . 0.0 109.68 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.3 mt -118.4 140.02 50.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.621 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.98 139.84 53.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.007 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -110.7 138.92 46.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.149 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -100.6 142.75 31.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.919 0.39 . . . . 0.0 111.486 -173.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 62.3 mt -94.67 116.6 36.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 169.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -124.01 123.46 40.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.811 -173.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.4 t70 63.17 20.89 12.55 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.733 0.778 . . . . 0.0 111.348 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.66 -1.94 66.63 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.239 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.9 mt -110.92 116.71 51.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.704 0.288 . . . . 0.0 110.581 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 16.3 Cg_exo -68.63 109.93 2.2 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.53 2.153 . . . . 0.0 111.507 175.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.2 t -80.82 90.55 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.987 0.422 . . . . 0.0 109.987 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.578 HD11 HD13 ' A' ' 11' ' ' LEU . 72.2 mt -102.64 75.0 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.202 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 7.7 mp -120.25 145.85 46.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.123 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 mt -66.47 -46.26 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.837 -172.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -76.62 -32.1 57.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.276 0.56 . . . . 0.0 110.182 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 4.4 mp0 -78.77 -3.4 44.16 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.162 -175.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.61 127.11 29.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.075 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.0 m -104.31 146.23 29.1 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -80.46 138.82 36.63 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.458 ' O ' ' HD3' ' A' ' 57' ' ' PRO . 77.2 t-105 -127.53 149.24 50.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 -175.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 m -99.38 101.31 12.66 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 174.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 55' ' ' TRP . 12.5 Cg_exo -70.09 117.88 5.36 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.962 2.441 . . . . 0.0 112.49 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.66 109.67 18.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.924 177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -122.15 91.48 3.51 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 tp 66.42 112.77 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.919 0.762 . . . . 0.0 112.975 173.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.334 174.524 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -128.92 136.09 49.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.608 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.442 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 62.3 tp -94.91 109.48 21.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.429 ' OD2' ' HG ' ' A' ' 7' ' ' LEU . 17.7 t70 -115.1 88.13 17.02 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.82 -178.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 3' ' ' LEU . 16.6 Cg_exo -68.14 -4.21 12.2 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.034 2.489 . . . . 0.0 112.45 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -71.19 -39.31 71.88 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' HG ' ' OD2' ' A' ' 4' ' ' ASP . 95.6 mt -83.74 10.54 9.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.292 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.55 -57.2 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.502 -176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 64.45 -172.89 0.17 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.426 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -95.97 108.41 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -104.14 110.41 22.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.015 178.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.02 163.68 20.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.313 -175.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.533 ' HB2' HD21 ' A' ' 20' ' ' LEU . 41.6 t -78.14 130.96 70.68 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.338 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 15.2 Cg_exo -69.84 35.72 0.23 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.735 2.957 . . . . 0.0 113.111 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 13' ' ' CYS . 41.3 mttm -120.11 -66.22 1.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.266 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -130.94 21.01 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -174.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? 66.42 19.7 10.94 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.608 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.469 ' HA2' ' HD3' ' A' ' 19' ' ' PRO . . . -69.04 130.08 24.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.872 177.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HD3' ' HA2' ' A' ' 18' ' ' GLY . 28.3 Cg_exo -62.52 139.56 76.84 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.975 2.45 . . . . 0.0 112.66 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 13' ' ' CYS . 60.0 mt -99.43 152.04 20.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.033 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.6 ttm-85 -85.19 119.61 25.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -86.45 109.11 18.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.359 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.767 HD12 ' HB2' ' A' ' 28' ' ' LEU . 92.3 mt -83.71 113.71 21.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.783 175.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -22.27 31.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.277 0.56 . . . . 0.0 111.133 -176.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.91 -57.05 4.34 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.264 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -107.89 3.87 24.76 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 8.5 mp0 52.7 71.89 0.45 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.462 0.648 . . . . 0.0 112.517 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.767 ' HB2' HD12 ' A' ' 23' ' ' LEU . 95.8 mt -133.92 147.48 51.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.661 177.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' HB3' HD13 ' A' ' 20' ' ' LEU . 88.9 mt -110.68 109.23 19.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.61 125.62 72.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.851 0.357 . . . . 0.0 111.109 -175.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -83.11 114.39 21.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 172.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -84.95 -6.16 59.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.178 0.513 . . . . 0.0 110.753 -172.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -97.31 -35.38 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.648 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.2 mt -102.1 -10.72 19.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.403 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.1 m120 65.69 35.32 7.0 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.412 0.445 . . . . 0.0 111.236 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.4 mt -118.57 144.73 45.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.3 141.72 51.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.014 0.435 . . . . 0.0 111.714 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -117.43 155.01 30.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.109 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -97.69 163.15 12.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.223 0.535 . . . . 0.0 111.501 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.5 mt -121.45 133.86 66.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -121.23 99.48 6.51 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.631 0.253 . . . . 0.0 110.826 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.9 t70 53.34 59.11 4.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.6 173.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.37 -19.64 34.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.681 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.5 mt -107.59 115.18 59.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 117.118 0.459 . . . . 0.0 110.72 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -68.46 131.86 24.15 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.513 2.142 . . . . 0.0 111.499 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -93.01 100.55 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.121 0.486 . . . . 0.0 110.107 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -98.74 77.56 2.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.232 0.539 . . . . 0.0 110.569 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.75 124.82 49.38 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.332 178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.89 -34.75 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.145 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -78.12 0.71 23.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.21 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -115.59 0.52 13.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.235 0.54 . . . . 0.0 110.064 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.43 109.16 6.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.855 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.5 p -102.43 149.5 24.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.142 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.32 134.79 52.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.11 0.481 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 43.7 t-105 -115.55 122.8 46.78 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.6 p -65.78 167.6 10.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.5 77.91 0.1 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.618 2.212 . . . . 0.0 111.907 176.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -91.19 79.55 5.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.089 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -161.99 178.98 8.36 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.077 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.7 mt -90.59 38.19 0.94 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 121.048 0.451 . . . . 0.0 110.253 172.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 p -67.52 133.76 50.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.986 0.422 . . . . 0.0 110.905 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.3 tp -103.89 135.54 45.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.421 ' OD1' ' HG ' ' A' ' 7' ' ' LEU . 11.0 t70 -125.97 88.72 53.76 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.14 -3.42 12.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.973 2.449 . . . . 0.0 112.297 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -83.75 -32.16 25.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.649 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.421 ' HG ' ' OD1' ' A' ' 4' ' ' ASP . 94.1 mt -67.8 -26.47 66.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.231 0.539 . . . . 0.0 109.911 172.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.76 -52.16 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.951 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.3 -164.82 0.24 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.673 -175.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.2 t -75.6 108.38 7.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.221 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt -113.92 111.68 22.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.091 0.472 . . . . 0.0 111.228 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.33 147.54 24.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.899 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.4 t -68.32 125.9 92.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -57.31 -38.39 94.95 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.718 2.278 . . . . 0.0 113.035 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -88.92 -54.37 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 111.204 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.537 ' HB2' HD11 ' A' ' 34' ' ' LEU . 12.2 t70 -81.06 -24.47 37.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.886 -172.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt 61.12 30.21 19.28 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 111.019 -177.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.48 -178.99 21.79 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.737 176.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.0 158.72 45.65 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 122.819 2.346 . . . . 0.0 112.805 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -116.56 136.39 53.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -86.94 122.46 30.82 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -90.92 116.32 28.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.434 -175.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.675 ' O ' ' HA ' ' A' ' 27' ' ' GLN . 3.7 mm? -82.97 136.78 34.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.522 172.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -95.29 -31.11 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -171.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.5 t -90.79 -47.86 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.493 0.663 . . . . 0.0 109.631 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.51 -29.58 52.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.789 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.675 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 38.5 mt-30 51.53 69.3 0.68 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.632 -176.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD22 ' HA ' ' A' ' 39' ' ' ARG . 79.6 mt -133.41 161.27 35.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.345 -1.298 . . . . 0.0 108.321 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HG ' HD11 ' A' ' 40' ' ' ILE . 98.3 mt -111.5 110.09 20.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 37' ' ' ALA . 31.9 t -116.07 129.21 72.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.625 -176.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -100.36 114.93 28.84 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -78.61 -6.84 56.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.356 -172.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.6 mtp85 -79.06 -31.19 44.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.814 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 16' ' ' ASP . 84.3 mt -104.53 -16.37 15.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.04 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 66.3 28.09 9.96 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 122.037 0.923 . . . . 0.0 109.257 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.704 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 99.0 mt -118.45 144.39 46.01 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.153 -177.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.418 ' CB ' HG22 ' A' ' 30' ' ' VAL . . . -121.76 140.63 52.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.282 -177.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -108.2 124.83 50.88 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.553 ' HA ' HD22 ' A' ' 28' ' ' LEU . 7.3 ptm180 -78.44 140.58 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.231 0.539 . . . . 0.0 111.277 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.558 HD11 ' HG ' ' A' ' 29' ' ' LEU . 60.6 mt -101.33 116.87 45.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.352 174.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -94.67 93.66 7.68 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.8 t70 46.48 72.81 0.21 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.803 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.32 -9.03 43.14 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.676 -0.693 . . . . 0.0 113.732 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.8 mt -115.93 104.28 52.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 117.383 0.591 . . . . 0.0 110.931 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 46.3 Cg_endo -69.7 123.31 10.0 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.575 2.183 . . . . 0.0 112.306 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 44.3 t -85.54 88.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.245 0.545 . . . . 0.0 109.825 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.78 68.74 10.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.785 -177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.27 121.17 38.09 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.9 mt -58.6 -40.05 77.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.434 -177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.01 -12.01 61.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.234 -177.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 -4.68 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.95 0.405 . . . . 0.0 110.683 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.704 ' HB1' ' HB3' ' A' ' 36' ' ' LEU . . . -69.16 110.83 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.614 -178.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -95.42 161.77 13.94 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.341 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.67 129.87 35.2 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.836 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 -116.56 149.54 39.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.025 0.44 . . . . 0.0 110.659 -176.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 p -77.65 149.61 78.09 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.097 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.25 176.98 3.46 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.744 2.296 . . . . 0.0 111.861 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -82.58 13.62 3.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.654 0.74 . . . . 0.0 110.122 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -131.65 124.82 30.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.316 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.75 135.43 33.75 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.776 0.322 . . . . 0.0 111.293 -174.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 C--N 1.333 -0.147 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.349 -174.361 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtm . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 p -101.96 139.45 37.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.321 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.5 tp 69.08 114.63 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 O-C-N 123.86 0.725 . . . . 0.0 110.019 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.416 ' OD2' ' HG ' ' A' ' 7' ' ' LEU . 34.5 t70 -108.53 89.98 6.72 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.703 -176.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -73.33 4.76 3.62 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.34 2.026 . . . . 0.0 111.755 177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -37.85 65.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.266 -178.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HG ' ' OD2' ' A' ' 4' ' ' ASP . 96.2 mt -77.81 2.3 17.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.378 178.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.4 mt -121.6 -47.4 2.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.964 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 62.54 -164.73 0.25 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.614 0.571 . . . . 0.0 111.538 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.6 t -92.16 111.24 23.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.07 0.462 . . . . 0.0 110.12 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD13 HD11 ' A' ' 29' ' ' LEU . 81.8 mt -97.77 124.83 42.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.73 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.72 169.24 10.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.77 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.8 m -88.64 142.46 30.93 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.109 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.11 -6.13 18.47 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.709 2.272 . . . . 0.0 112.732 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -92.44 -69.77 0.73 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.582 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -120.51 12.26 11.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 110.816 -175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 93.0 mttt 51.36 34.52 11.98 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.818 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.58 166.24 54.09 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.708 177.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -68.96 143.55 55.12 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 123.221 2.614 . . . . 0.0 112.776 -177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 29' ' ' LEU . 88.1 mt -115.04 130.05 56.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.075 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -93.41 133.57 36.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -92.41 122.4 34.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.133 0.492 . . . . 0.0 111.585 -174.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -105.5 130.33 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.933 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -80.24 -7.49 59.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.084 -173.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 m -51.52 -57.91 7.75 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -135.9 23.3 3.32 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.538 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 2.3 mp0 61.06 75.49 0.41 Allowed 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.579 0.704 . . . . 0.0 109.171 -170.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.5 mt -121.29 144.42 48.63 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.797 -174.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.497 HD13 HD13 ' A' ' 20' ' ' LEU . 95.9 mt -110.8 121.37 45.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.724 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.1 t -109.21 120.63 60.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.171 0.51 . . . . 0.0 110.472 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -78.48 116.21 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.661 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -91.43 25.76 2.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.622 0.725 . . . . 0.0 110.753 -173.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -115.73 -59.25 2.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.148 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 mt -100.35 -6.28 26.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.924 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.423 ' OD1' ' HA ' ' A' ' 57' ' ' PRO . 8.8 t30 64.83 67.22 0.55 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.242 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.2 mt -135.26 160.97 36.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.525 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 55' ' ' TRP . . . -122.43 137.84 54.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.121 0.486 . . . . 0.0 111.702 -176.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.409 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 95.2 m-85 -115.0 145.43 42.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.121 174.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -100.78 140.71 34.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.387 -173.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 70.8 mt -106.92 121.72 60.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -92.99 94.49 8.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.657 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.8 t70 58.81 16.63 4.62 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.606 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.413 ' H ' HG22 ' A' ' 40' ' ' ILE . . . 126.98 -15.78 6.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.672 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 3.8 mp -107.01 114.84 61.06 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 44' ' ' ILE . 17.3 Cg_exo -66.45 128.51 19.38 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.017 2.478 . . . . 0.0 112.488 -177.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.0 t -86.45 84.92 2.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.9 mt -90.5 78.04 6.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.823 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 93.8 mt -116.74 139.51 50.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.469 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.8 mt -73.25 -32.9 39.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.031 0.443 . . . . 0.0 110.192 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.48 -26.18 60.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.992 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 7.2 mm-40 -92.78 3.95 54.71 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.262 -178.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.92 106.55 0.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 m -97.95 147.2 24.72 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.328 -173.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.51 124.35 29.4 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 56.8 t-105 -114.9 171.37 7.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.368 -172.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p -77.29 148.5 77.76 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 20.2 Cg_endo -60.85 132.27 41.58 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.405 2.07 . . . . 0.0 112.268 -177.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -65.08 119.51 10.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.752 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -76.75 117.53 18.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.368 0.604 . . . . 0.0 110.433 -177.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.8 mt -112.85 112.93 24.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.405 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -133.23 115.33 14.85 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.11 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 3' ' ' LEU . 2.1 tm? -75.97 112.69 12.66 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 174.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -114.32 90.03 19.42 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.452 -175.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.1 8.75 1.96 Allowed 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.536 2.157 . . . . 0.0 112.377 178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -86.08 -51.69 6.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.262 0.553 . . . . 0.0 109.532 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.94 -26.8 63.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.469 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -84.86 -35.22 22.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.773 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.796 ' HG2' ' H ' ' A' ' 10' ' ' VAL . 21.3 tt0 62.59 -164.92 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.118 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.796 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 46.8 t -96.81 107.66 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.854 0.359 . . . . 0.0 110.655 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -101.33 114.3 28.17 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.86 150.74 39.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 15' ' ' LYS . 17.9 t -65.08 125.99 90.35 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.345 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 22.2 Cg_exo -63.67 -15.6 49.71 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.824 2.349 . . . . 0.0 112.671 -177.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.464 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 52.3 tptt -83.12 -41.23 18.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.879 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -131.11 -2.82 3.97 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.066 -0.654 . . . . 0.0 112.292 -174.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 67.05 18.36 10.52 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.005 0.431 . . . . 0.0 111.234 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.05 137.43 19.91 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.718 -0.754 . . . . 0.0 111.544 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.24 133.6 50.61 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.65 2.233 . . . . 0.0 112.337 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 87.5 mt -80.26 127.1 31.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.558 -178.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -84.31 126.22 32.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HE1' ' HG3' ' A' ' 24' ' ' GLU . 17.0 t80 -86.28 117.64 25.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.646 -174.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.64 116.39 31.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.382 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG3' ' HE1' ' A' ' 22' ' ' TYR . 58.5 mp0 -72.64 -15.22 61.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.942 -178.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 m -48.5 -55.38 11.17 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.834 0.349 . . . . 0.0 111.733 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -132.71 19.82 4.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.07 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 56.61 74.15 0.41 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.644 -175.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.0 mt -122.27 147.22 46.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.612 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 97.3 mt -111.17 109.36 19.38 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 173.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -109.75 124.08 66.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.914 0.388 . . . . 0.0 111.665 -172.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -84.37 113.88 21.48 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 171.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -84.47 -10.59 57.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.064 -170.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -73.76 -34.63 64.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.3 mt -115.46 1.18 13.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.17 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.6 t30 58.02 44.13 19.98 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.558 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.5 mt -118.0 145.55 44.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.616 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 55' ' ' TRP . . . -120.99 128.29 52.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.217 0.532 . . . . 0.0 111.124 -176.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 47' ' ' LEU . 88.1 m-85 -102.51 135.0 44.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.946 -1.024 . . . . 0.0 108.579 176.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -98.15 140.16 32.88 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.26 0.552 . . . . 0.0 111.874 -171.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.463 HG12 ' HB3' ' A' ' 45' ' ' PRO . 65.2 mt -103.45 111.86 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -96.44 99.76 11.41 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -177.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.0 t0 44.92 55.44 6.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.026 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.12 -14.84 61.05 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.529 -0.843 . . . . 0.0 113.617 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -107.88 107.92 60.82 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 117.205 0.503 . . . . 0.0 110.776 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.463 ' HB3' HG12 ' A' ' 40' ' ' ILE . 96.5 Cg_endo -83.71 120.76 2.79 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.792 2.328 . . . . 0.0 112.535 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.9 t -95.06 113.99 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 82.9 mt -111.43 31.79 5.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.313 0.578 . . . . 0.0 110.891 -174.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 91.9 mt -88.98 135.35 33.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.861 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.467 HD12 ' H ' ' A' ' 49' ' ' ILE . 3.1 mp -58.89 -46.68 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -28.26 69.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.67 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 59.2 mm-40 -95.09 3.29 54.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.378 -177.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.19 142.88 27.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.284 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -115.74 150.01 37.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -73.83 132.39 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.441 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . 50.9 t-105 -100.07 144.34 29.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.32 0.581 . . . . 0.0 111.614 -170.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.452 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 3.0 p -106.67 125.41 32.83 Favored Pre-proline 0 N--CA 1.445 -0.691 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.454 175.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.804 ' HG2' HD21 ' A' ' 60' ' ' LEU . 3.9 Cg_endo -48.58 147.58 9.25 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.23 2.62 . . . . 0.0 112.422 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -59.29 123.67 17.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.888 -173.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 52.42 94.52 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.422 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.804 HD21 ' HG2' ' A' ' 57' ' ' PRO . 96.0 mt -84.44 140.03 31.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.5 174.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.403 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 m -83.86 125.46 32.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.766 0.317 . . . . 0.0 111.847 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.4 mp 64.83 -175.08 0.17 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.827 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -124.48 89.49 52.08 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.185 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.67 2.67 1.49 Allowed 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.258 2.639 . . . . 0.0 113.577 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.87 -34.58 11.79 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.52 -24.11 58.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 0.0 110.202 173.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -95.27 -47.58 6.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.737 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 60.47 -164.87 0.22 Allowed 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.301 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -99.27 107.9 21.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.913 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.9 mt -93.19 124.36 37.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.472 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.55 156.23 42.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.996 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' HD21 ' A' ' 20' ' ' LEU . 38.1 t -81.55 126.63 75.57 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.283 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.71 9.64 0.56 Allowed 'Trans proline' 0 N--CA 1.476 0.447 0 C-N-CA 122.973 2.448 . . . . 0.0 113.286 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -85.18 -42.02 15.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.861 0.362 . . . . 0.0 110.185 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -151.98 12.78 0.59 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.943 0.401 . . . . 0.0 111.389 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.7 tttt 65.48 32.81 9.22 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.8 0.809 . . . . 0.0 110.435 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.73 148.5 21.82 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.349 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.45 143.82 93.87 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.773 2.315 . . . . 0.0 113.026 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' A' ' 13' ' ' CYS . 95.5 mt -100.04 131.11 46.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.263 176.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -95.25 121.55 37.02 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -85.63 127.01 34.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.076 0.465 . . . . 0.0 110.913 -174.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -106.98 112.46 25.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.856 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.2 -12.66 42.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.973 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -63.17 -48.08 79.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.528 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -131.86 7.45 4.39 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -173.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 62.78 40.84 9.53 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.084 0.469 . . . . 0.0 110.826 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -118.11 157.97 25.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.841 -177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 84.4 mt -109.9 110.7 21.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.4 177.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' A' ' 37' ' ' ALA . 48.4 t -110.51 120.8 62.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.926 0.394 . . . . 0.0 110.635 -175.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -73.19 119.52 17.55 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.23 -19.47 65.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.916 -171.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -88.64 -52.27 5.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.0 111.11 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.45 -19.87 32.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.876 -174.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t30 66.33 38.11 4.57 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 122.092 0.949 . . . . 0.0 109.732 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.9 mt -117.73 146.62 43.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.617 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB2' HG22 ' A' ' 30' ' ' VAL . . . -122.52 138.24 54.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.359 0.599 . . . . 0.0 111.994 -172.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -107.15 149.38 27.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.62 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 39' ' ' ARG . 40.0 mtt180 -101.0 141.83 33.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.518 -173.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -110.39 134.61 52.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -127.08 95.32 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.869 0.366 . . . . 0.0 110.425 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 51.73 72.53 0.37 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.942 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.72 -14.98 8.47 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.555 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.459 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 65.2 mt -108.36 112.48 61.03 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.958 0.379 . . . . 0.0 110.593 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 44' ' ' ILE . 6.1 Cg_exo -79.23 119.6 4.27 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.983 2.455 . . . . 0.0 111.856 178.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.542 HG13 HD23 ' A' ' 48' ' ' LEU . 65.5 t -77.84 96.88 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.3 mt -105.46 38.23 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.268 -173.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.542 HD23 HG13 ' A' ' 46' ' ' VAL . 3.6 mm? -81.35 123.65 28.72 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.011 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.8 mt -58.87 -37.65 68.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.86 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.15 -8.04 57.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.167 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 22.5 mm-40 -107.09 4.88 27.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.779 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.46 126.69 30.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 m -111.38 148.63 32.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.101 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.84 128.93 34.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -104.86 154.43 20.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.205 -175.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.6 m -61.73 128.76 90.8 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -41.32 125.29 2.53 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.174 2.582 . . . . 0.0 112.869 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -52.87 140.78 23.43 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.451 -177.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -74.22 83.84 1.87 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.859 0.838 . . . . 0.0 111.652 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.1 mt -86.6 107.78 18.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.102 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.481 -176.254 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.78 0.324 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 m 58.29 -176.32 0.08 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.845 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.0 mp 59.07 -169.18 0.14 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.59 0.71 . . . . 0.0 111.444 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.05 87.86 53.0 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.695 174.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.21 -4.31 11.45 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.125 2.55 . . . . 0.0 112.828 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -86.29 -44.39 12.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.985 0.421 . . . . 0.0 110.222 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.1 mt -76.45 -17.73 59.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.646 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.2 mt -94.61 -27.89 15.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.905 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 61.8 -175.6 0.13 Allowed 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.618 0.574 . . . . 0.0 111.41 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.2 t -108.33 93.85 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.614 HD13 HD11 ' A' ' 29' ' ' LEU . 87.6 mt -85.49 109.7 18.67 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 -174.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.04 149.09 44.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.671 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 2.9 p -67.1 135.32 93.82 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.825 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 47' ' ' LEU . 36.1 Cg_endo -65.36 -25.96 56.12 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.899 2.4 . . . . 0.0 113.224 -175.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -90.99 -57.0 2.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.781 0.324 . . . . 0.0 111.616 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.633 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 16.5 t70 -84.86 -27.17 26.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.638 -172.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 tptt 65.04 17.96 11.29 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.216 0.607 . . . . 0.0 110.588 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.64 176.54 36.67 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.145 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.49 140.59 57.98 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.966 2.444 . . . . 0.0 112.639 -177.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 13' ' ' CYS . 88.8 mt -110.35 138.93 46.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.428 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -89.97 124.4 34.71 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.487 ' HD1' ' HG3' ' A' ' 24' ' ' GLU . 31.9 t80 -86.2 109.55 18.98 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -85.57 95.13 9.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 176.564 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' HG3' ' HD1' ' A' ' 22' ' ' TYR . 1.9 mp0 -65.28 -24.53 67.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.432 -171.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -72.03 -30.71 65.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.283 -174.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -132.13 9.11 4.43 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.964 -177.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.461 ' HB3' ' HB ' ' A' ' 40' ' ' ILE . 13.0 mp0 56.23 62.22 2.43 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.19 0.519 . . . . 0.0 110.902 -177.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.5 mt -124.99 148.13 48.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.292 -178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 11' ' ' LEU . 95.8 mt -113.98 110.6 20.31 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.0 t -109.52 132.56 57.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.564 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.479 ' HB2' HD23 ' A' ' 20' ' ' LEU . 46.3 t30 -116.76 115.65 25.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.039 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.94 -23.79 67.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.817 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 33' ' ' ARG . 15.1 mtp180 -76.25 -13.69 60.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.017 -178.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.0 mt -121.5 -17.72 7.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.593 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.61 18.3 11.18 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.672 0.749 . . . . 0.0 109.254 -175.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 54' ' ' GLU . 88.0 mt -118.91 153.79 34.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.416 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.52 141.33 51.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.121 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -104.57 141.54 36.22 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 175.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 39' ' ' ARG . 30.0 mtm180 -93.55 139.46 30.73 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.964 -177.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.461 ' HB ' ' HB3' ' A' ' 27' ' ' GLN . 66.3 mt -104.3 112.59 38.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 170.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -104.67 96.02 6.29 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.402 -174.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 47.89 71.61 0.33 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.952 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.45 -20.46 30.59 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.706 -0.679 . . . . 0.0 113.297 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.9 mt -110.1 107.65 58.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 117.209 0.504 . . . . 0.0 111.211 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 2.7 Cg_exo -75.36 109.94 3.01 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.862 2.375 . . . . 0.0 111.101 175.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.44 HG11 ' HG2' ' A' ' 51' ' ' GLU . 34.2 t -79.49 82.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.456 0.646 . . . . 0.0 110.141 -178.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.485 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 94.0 mt -87.36 79.27 8.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.316 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt -129.36 141.17 51.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.873 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.9 -39.58 67.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.273 0.558 . . . . 0.0 110.089 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.36 -27.51 67.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.053 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HG2' HG11 ' A' ' 46' ' ' VAL . 11.8 tp10 -92.77 -9.24 41.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.727 -175.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.47 123.79 22.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 m -105.03 152.65 22.48 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.203 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' HA ' HD23 ' A' ' 36' ' ' LEU . 37.4 tt0 -76.29 124.48 27.57 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -141.87 149.48 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.347 -172.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.4 m 61.2 85.47 0.18 Allowed Pre-proline 0 CA--C 1.533 0.294 0 O-C-N 123.837 0.71 . . . . 0.0 111.528 -177.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.27 112.51 3.56 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.77 2.313 . . . . 0.0 111.406 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -80.31 161.28 25.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.193 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.51 157.65 19.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.902 0.382 . . . . 0.0 111.215 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.2 mt -75.47 93.79 3.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.341 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.762 177.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.7 ttm . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.526 0.203 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t 60.36 -170.48 0.14 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.153 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 45.0 tp -129.51 153.08 48.35 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -113.14 88.11 11.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 120.894 0.378 . . . . 0.0 110.016 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.04 -16.75 34.4 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 123.202 2.602 . . . . 0.0 113.618 -174.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -69.64 -28.82 66.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.115 0.483 . . . . 0.0 110.82 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mp -93.29 15.57 15.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.2 mt -138.68 -54.71 0.61 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.553 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 66.08 177.45 0.22 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.572 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.91 98.0 5.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.168 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.59 104.73 10.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.784 177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.93 155.16 28.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.093 -176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 17' ' ' LYS . 27.9 m -63.84 149.51 92.98 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.698 179.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -69.75 -27.05 26.98 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.248 1.965 . . . . 0.0 113.376 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -103.64 -70.84 0.75 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.657 -176.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.1 -25.43 59.79 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.769 0.319 . . . . 0.0 110.855 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 13' ' ' CYS . 29.5 mtpt 66.31 27.8 10.01 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.813 176.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' HA3' ' NH1' ' A' ' 33' ' ' ARG . . . -77.72 162.56 50.61 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.12 171.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.55 118.93 5.84 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.653 2.235 . . . . 0.0 112.222 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.31 142.1 54.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.947 179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -85.13 127.42 34.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -91.74 124.41 35.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.213 -175.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mp -107.87 113.84 27.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.295 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -62.24 -30.66 71.26 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.202 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.6 m -49.44 -70.15 0.1 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.248 -172.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -114.93 19.33 15.91 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.423 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 57.78 65.25 1.36 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.998 0.428 . . . . 0.0 110.252 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -128.31 146.8 50.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.205 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.4 mt -112.32 117.12 31.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.272 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -109.63 132.55 57.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -173.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -107.31 122.22 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -62.4 -41.36 98.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.361 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 3.0 mpt_? -72.48 -18.14 61.7 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -168.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 83.8 mt -121.37 -5.3 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.949 -177.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 59.84 27.53 16.87 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.677 0.751 . . . . 0.0 110.263 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 34' ' ' LEU . 99.6 mt -119.06 157.26 28.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.712 -176.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.32 131.66 54.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.178 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -96.34 136.24 37.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.458 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' HD3' ' HG3' ' A' ' 51' ' ' GLU . 63.5 mtp180 -90.84 140.1 30.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.08 -168.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.46 111.48 36.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 175.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -106.31 96.16 6.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.967 0.413 . . . . 0.0 110.345 -174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 52.57 67.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.962 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.99 -13.15 39.34 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.645 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.07 107.75 60.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.945 0.373 . . . . 0.0 110.555 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.16 111.24 3.23 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.149 2.566 . . . . 0.0 111.575 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.6 t -86.02 97.99 6.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.88 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -91.01 43.24 1.14 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.195 0.521 . . . . 0.0 110.786 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -97.88 124.24 42.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.053 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.5 -31.63 53.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.997 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.11 -26.64 61.31 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' HG3' ' HD3' ' A' ' 39' ' ' ARG . 8.2 tp10 -91.31 -11.38 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.361 0.6 . . . . 0.0 110.174 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.87 138.57 41.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.381 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.2 t -109.81 161.25 15.63 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.117 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -70.8 124.84 25.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.781 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -140.78 150.67 43.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.834 -176.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.7 m 72.56 88.19 0.09 OUTLIER Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 123.874 0.734 . . . . 0.0 110.775 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -79.52 152.26 23.0 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 123.044 2.496 . . . . 0.0 111.488 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -93.54 123.95 37.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.331 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.4 90.32 0.96 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 173.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 60' ' ' LEU . 1.7 pp -72.79 156.33 39.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.532 -175.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.31 -177.531 . . . . . . . . 0 0 . 1 stop_ save_